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84971-80-2 | Carbamic acid, (3-chloro-4,5-diethoxyphenyl)-, 2-cyanoethyl ester
CAS No: 84971-80-2 Catalog No: AG004UJN MDL No:
Product Description
Catalog Number:
AG004UJN
Chemical Name:
Carbamic acid, (3-chloro-4,5-diethoxyphenyl)-, 2-cyanoethyl ester
CAS Number:
84971-80-2
Molecular Formula:
C14H17ClN2O4
Molecular Weight:
312.7488
IUPAC Name:
2-cyanoethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
InChI:
InChI=1S/C14H17ClN2O4/c1-3-19-12-9-10(8-11(15)13(12)20-4-2)17-14(18)21-7-5-6-16/h8-9H,3-5,7H2,1-2H3,(H,17,18)
InChI Key:
NCMDRZQMWONEAB-UHFFFAOYSA-N
SMILES:
N#CCCOC(=O)Nc1cc(Cl)c(c(c1)OCC)OCC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.75g/mol
Monoisotopic Mass:
312.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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