Home Nitros Methyl 3-(cyanomethyl)-4-nitrobenzoate

Methyl 3-(cyanomethyl)-4-nitrobenzoate

CAS No.:
1260763-08-3
Catalog Number:
AG00HIUD
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$133
- +
250mg
95%
In Stock USA
United States
$221
- +
1g
95%
In Stock USA
United States
$441
- +
Product Description
Catalog Number:
AG00HIUD
Chemical Name:
Methyl 3-(cyanomethyl)-4-nitrobenzoate
CAS Number:
1260763-08-3
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD11976060
IUPAC Name:
methyl 3-(cyanomethyl)-4-nitrobenzoate
InChI:
InChI=1S/C10H8N2O4/c1-16-10(13)8-2-3-9(12(14)15)7(6-8)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
MYIIJYVEDDBECQ-UHFFFAOYSA-N
SMILES:
N#CCc1cc(ccc1[N+](=O)[O-])C(=O)OC
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties