200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 182131-72-2
182131-72-2 | 1,2-Propanediol, 1-(2-nitrophenyl)-
CAS No: 182131-72-2 Catalog No: AG0023E8 MDL No:
Product Description
Catalog Number:
AG0023E8
Chemical Name:
1,2-Propanediol, 1-(2-nitrophenyl)-
CAS Number:
182131-72-2
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
1-(2-nitrophenyl)propane-1,2-diol
InChI:
InChI=1S/C9H11NO4/c1-6(11)9(12)7-4-2-3-5-8(7)10(13)14/h2-6,9,11-12H,1H3
InChI Key:
DQNAOMHOXZEUOE-UHFFFAOYSA-N
SMILES:
CC(C(c1ccccc1[N+](=O)[O-])O)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.