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Home > Nitro Compounds > 124068-97-9
124068-97-9 | Carbamic acid, N-(phenylmethyl)-, 4-nitrophenyl ester
CAS No: 124068-97-9 Catalog No: AG000LIY MDL No:MFCD06796634
Product Description
Catalog Number:
AG000LIY
Chemical Name:
Carbamic acid, N-(phenylmethyl)-, 4-nitrophenyl ester
CAS Number:
124068-97-9
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
MDL Number:
MFCD06796634
IUPAC Name:
(4-nitrophenyl) N-benzylcarbamate
InChI:
InChI=1S/C14H12N2O4/c17-14(15-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)16(18)19/h1-9H,10H2,(H,15,17)
InChI Key:
OCAOEODBVXZHNZ-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
329
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:
2.8
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