200,000+ products from a single source!
sales@angenechem.com
113772-13-7 | Benzeneacetic acid, α-cyano-2-nitro-, methyl ester
CAS No: 113772-13-7 Catalog No: AG0009MG MDL No:MFCD00126686
Product Description
Catalog Number:
AG0009MG
Chemical Name:
Benzeneacetic acid, α-cyano-2-nitro-, methyl ester
CAS Number:
113772-13-7
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD00126686
IUPAC Name:
methyl 2-cyano-2-(2-nitrophenyl)acetate
InChI:
InChI=1S/C10H8N2O4/c1-16-10(13)8(6-11)7-4-2-3-5-9(7)12(14)15/h2-5,8H,1H3
InChI Key:
NSMXJMPKVCIXCH-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1[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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.