Home Nitros Benzoic acid,3-butoxy-4-nitro-

Benzoic acid,3-butoxy-4-nitro-

CAS No.:
72101-53-2
Catalog Number:
AG006AFK
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$88
- +
5g
1 week
United States
$238
- +
10g
1 week
United States
$359
- +
Product Description
Catalog Number:
AG006AFK
Chemical Name:
Benzoic acid,3-butoxy-4-nitro-
CAS Number:
72101-53-2
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
MDL Number:
MFCD00024721
IUPAC Name:
3-butoxy-4-nitrobenzoic acid
InChI:
InChI=1S/C11H13NO5/c1-2-3-6-17-10-7-8(11(13)14)4-5-9(10)12(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
RITZSLUFIIRTTQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(OCCCC)cccc1C(=O)O
NSC Number:
76562
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties