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100460-82-0 | Carbamic acid, (3-chloropropyl)(2-nitrophenyl)-, ethyl ester (9CI)
CAS No: 100460-82-0 Catalog No: AG00021M MDL No:
Product Description
Catalog Number:
AG00021M
Chemical Name:
Carbamic acid, (3-chloropropyl)(2-nitrophenyl)-, ethyl ester (9CI)
CAS Number:
100460-82-0
Molecular Formula:
C12H15ClN2O4
Molecular Weight:
286.7115
IUPAC Name:
ethyl N-(3-chloropropyl)-N-(2-nitrophenyl)carbamate
InChI:
InChI=1S/C12H15ClN2O4/c1-2-19-12(16)14(9-5-8-13)10-6-3-4-7-11(10)15(17)18/h3-4,6-7H,2,5,8-9H2,1H3
InChI Key:
AIEPTQQJCROKCC-UHFFFAOYSA-N
SMILES:
ClCCCN(c1ccccc1[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.712g/mol
Monoisotopic Mass:
286.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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