sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 4-Cyano-3-nitrobenzoic acid

4-Cyano-3-nitrobenzoic acid

CAS No.:
153775-42-9
Catalog Number:
AG00AQ6S
Molecular Formula:
C8H4N2O4
Molecular Weight:
192.1284
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$69
- +
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$269
- +
5g
95%
In Stock USA
United States
$1019
- +
Product Description
Catalog Number:
AG00AQ6S
Chemical Name:
4-Cyano-3-nitrobenzoic acid
CAS Number:
153775-42-9
Molecular Formula:
C8H4N2O4
Molecular Weight:
192.1284
MDL Number:
MFCD16876894
IUPAC Name:
4-cyano-3-nitrobenzoic acid
InChI:
InChI=1S/C8H4N2O4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,(H,11,12)
InChI Key:
JVPRJKPSKHSUDO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.13g/mol
Monoisotopic Mass:
192.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction. Journal of the American Chemical Society 20110817
Enhanced anti-diastereo- and enantioselectivity in alcohol-mediated carbonyl crotylation using an isolable single component iridium catalyst. The Journal of organic chemistry 20110401
Iridium-catalyzed anti-diastereo- and enantioselective carbonyl (trimethylsilyl)allylation from the alcohol or aldehyde oxidation level. Journal of the American Chemical Society 20100707
anti-Diastereo- and enantioselective carbonyl (hydroxymethyl)allylation from the alcohol or aldehyde oxidation level: allyl carbonates as allylmetal surrogates. Journal of the American Chemical Society 20100407
Diastereo- and enantioselective anti-alkoxyallylation employing allylic gem-dicarboxylates as allyl donors via iridium-catalyzed transfer hydrogenation. Journal of the American Chemical Society 20100217
anti-Diastereo- and enantioselective carbonyl crotylation from the alcohol or aldehyde oxidation level employing a cyclometallated iridium catalyst: alpha-methyl allyl acetate as a surrogate to preformed crotylmetal reagents. Journal of the American Chemical Society 20090225
Properties