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Home > Nitro Compounds > 16648-52-5
16648-52-5 | Carbamic acid, N-(2-methyl-5-nitrophenyl)-, ethyl ester
CAS No: 16648-52-5 Catalog No: AG001WRI MDL No:MFCD00059827
Product Description
Catalog Number:
AG001WRI
Chemical Name:
Carbamic acid, N-(2-methyl-5-nitrophenyl)-, ethyl ester
CAS Number:
16648-52-5
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD00059827
IUPAC Name:
ethyl N-(2-methyl-5-nitrophenyl)carbamate
InChI:
InChI=1S/C10H12N2O4/c1-3-16-10(13)11-9-6-8(12(14)15)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,11,13)
InChI Key:
AYJFWTBDUMVOBQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(NC(=O)OCC)c(cc1)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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