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133093-91-1 | 2-Butenedioic acid, 2-amino-3-chloro-, diethyl ester, (Z)- (9CI)
CAS No: 133093-91-1 Catalog No: AG00148D MDL No:
Product Description
Catalog Number:
AG00148D
Chemical Name:
2-Butenedioic acid, 2-amino-3-chloro-, diethyl ester, (Z)- (9CI)
CAS Number:
133093-91-1
Molecular Formula:
C8H12ClNO4
Molecular Weight:
221.6382
IUPAC Name:
diethyl 2-amino-3-chlorobut-2-enedioate
InChI:
InChI=1S/C8H12ClNO4/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h3-4,10H2,1-2H3
InChI Key:
YEEWRGIKOJUQTM-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(\C(=O)OCC)/N)/Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.637g/mol
Monoisotopic Mass:
221.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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