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114907-72-1 | 2-Propenoic acid, 3-amino-3-chloro-2-cyano-, ethyl ester, (2E)-
CAS No: 114907-72-1 Catalog No: AG000FEZ MDL No:
Product Description
Catalog Number:
AG000FEZ
Chemical Name:
2-Propenoic acid, 3-amino-3-chloro-2-cyano-, ethyl ester, (2E)-
CAS Number:
114907-72-1
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
IUPAC Name:
ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate
InChI:
InChI=1S/C6H7ClN2O2/c1-2-11-6(10)4(3-8)5(7)9/h2,9H2,1H3
InChI Key:
HYEWOKUKFABDCR-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(/Cl)\N)/C#N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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