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122274-70-8 | 2-Propenoic acid, 2-chloro-3-(3-chlorophenyl)-, (Z)- (9CI)
CAS No: 122274-70-8 Catalog No: AG001715 MDL No:
Product Description
Catalog Number:
AG001715
Chemical Name:
2-Propenoic acid, 2-chloro-3-(3-chlorophenyl)-, (Z)- (9CI)
CAS Number:
122274-70-8
Molecular Formula:
C9H6Cl2O2
Molecular Weight:
217.0487
IUPAC Name:
2-chloro-3-(3-chlorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-5H,(H,12,13)
InChI Key:
UQEPTSFPWBGEIA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)/C=C(/C(=O)O)\Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.045g/mol
Monoisotopic Mass:
215.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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