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Home > Nitro Compounds > 50699-52-0
50699-52-0 | phenyl N-(3-nitrophenyl)carbamate
CAS No: 50699-52-0 Catalog No: AG01E71N MDL No:MFCD00024351
Product Description
Catalog Number:
AG01E71N
Chemical Name:
phenyl N-(3-nitrophenyl)carbamate
CAS Number:
50699-52-0
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
MDL Number:
MFCD00024351
IUPAC Name:
phenyl N-(3-nitrophenyl)carbamate
InChI:
InChI=1S/C13H10N2O4/c16-13(19-12-7-2-1-3-8-12)14-10-5-4-6-11(9-10)15(17)18/h1-9H,(H,14,16)
InChI Key:
JRBQTHUEPKJNBD-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)Nc1cccc(c1)[N+](=O)[O-]
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:
3.1
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