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80179-76-6 | Carbamic acid, methyl(4-nitrophenyl)-, ethyl ester
CAS No: 80179-76-6 Catalog No: AG005CJV MDL No:
Product Description
Catalog Number:
AG005CJV
Chemical Name:
Carbamic acid, methyl(4-nitrophenyl)-, ethyl ester
CAS Number:
80179-76-6
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
IUPAC Name:
ethyl N-methyl-N-(4-nitrophenyl)carbamate
InChI:
InChI=1S/C10H12N2O4/c1-3-16-10(13)11(2)8-4-6-9(7-5-8)12(14)15/h4-7H,3H2,1-2H3
InChI Key:
RTXBPPPBGFXUPF-UHFFFAOYSA-N
SMILES:
CCOC(=O)N(c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
256
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:
0
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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