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23091-35-2 | Carbamic acid, N-(2-nitrophenyl)-, phenylmethyl ester
CAS No: 23091-35-2 Catalog No: AG002M5M MDL No:
Product Description
Catalog Number:
AG002M5M
Chemical Name:
Carbamic acid, N-(2-nitrophenyl)-, phenylmethyl ester
CAS Number:
23091-35-2
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
benzyl N-(2-nitrophenyl)carbamate
InChI:
InChI=1S/C14H12N2O4/c17-14(20-10-11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)16(18)19/h1-9H,10H2,(H,15,17)
InChI Key:
LGFRPSBWXQHKGN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])OCc1ccccc1
NSC Number:
171067
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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