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Home > Nitro Compounds > 1988-17-6
1988-17-6 | Formic acid, 3-nitrophenyl ester
CAS No: 1988-17-6 Catalog No: AG002BR1 MDL No:
Product Description
Catalog Number:
AG002BR1
Chemical Name:
Formic acid, 3-nitrophenyl ester
CAS Number:
1988-17-6
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
IUPAC Name:
(3-nitrophenyl) formate
InChI:
InChI=1S/C7H5NO4/c9-5-12-7-3-1-2-6(4-7)8(10)11/h1-5H
InChI Key:
PMFKSGMYFPYBLE-UHFFFAOYSA-N
SMILES:
O=COc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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