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Home > Nitro Compounds > 29091-47-2
29091-47-2 | phenyl N-(2-nitrophenyl)carbamate
CAS No: 29091-47-2 Catalog No: AG019KJI MDL No:MFCD09040537
Product Description
Catalog Number:
AG019KJI
Chemical Name:
phenyl N-(2-nitrophenyl)carbamate
CAS Number:
29091-47-2
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
MDL Number:
MFCD09040537
IUPAC Name:
phenyl N-(2-nitrophenyl)carbamate
InChI:
InChI=1S/C13H10N2O4/c16-13(19-10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)
InChI Key:
WAECYDDRTDAXDO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])Oc1ccccc1
NSC Number:
171071
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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