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15649-41-9 | 2-Butenedioic acid, 2,3-dichloro-, diethyl ester, (Z)- (9CI)
CAS No: 15649-41-9 Catalog No: AG001ORD MDL No:
Product Description
Catalog Number:
AG001ORD
Chemical Name:
2-Butenedioic acid, 2,3-dichloro-, diethyl ester, (Z)- (9CI)
CAS Number:
15649-41-9
Molecular Formula:
C8H10Cl2O4
Molecular Weight:
241.0686
IUPAC Name:
diethyl (Z)-2,3-dichlorobut-2-enedioate
InChI:
InChI=1S/C8H10Cl2O4/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h3-4H2,1-2H3/b6-5-
InChI Key:
RJQUCHQZARJING-WAYWQWQTSA-N
SMILES:
CCOC(=O)/C(=C(\C(=O)OCC)/Cl)/Cl
NSC Number:
124615
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
239.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.064g/mol
Monoisotopic Mass:
239.996g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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