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Home > Nitro Compounds > 16135-31-2
16135-31-2 | Formamide, N-(4-nitrophenyl)-
CAS No: 16135-31-2 Catalog No: AG001SE1 MDL No:
Product Description
Catalog Number:
AG001SE1
Chemical Name:
Formamide, N-(4-nitrophenyl)-
CAS Number:
16135-31-2
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
IUPAC Name:
N-(4-nitrophenyl)formamide
InChI:
InChI=1S/C7H6N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-5H,(H,8,10)
InChI Key:
ZTCQFVRINYOPOH-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1)[N+](=O)[O-]
UNII:
6H015ZH24F
NSC Number:
25178
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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