200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 13312-81-7
13312-81-7 | Benzeneacetonitrile, α-hydroxy-2-nitro-
CAS No: 13312-81-7 Catalog No: AG0014AX MDL No:MFCD00068228
Product Description
Catalog Number:
AG0014AX
Chemical Name:
Benzeneacetonitrile, α-hydroxy-2-nitro-
CAS Number:
13312-81-7
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00068228
IUPAC Name:
2-hydroxy-2-(2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H6N2O3/c9-5-8(11)6-3-1-2-4-7(6)10(12)13/h1-4,8,11H
InChI Key:
YIBWLYSNBNNELO-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1[N+](=O)[O-])O
NSC Number:
44638
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.