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131001-88-2 | Benzoic acid, 5-chloro-2-ethenyl-, methyl ester
CAS No: 131001-88-2 Catalog No: AG000VBN MDL No:
Product Description
Catalog Number:
AG000VBN
Chemical Name:
Benzoic acid, 5-chloro-2-ethenyl-, methyl ester
CAS Number:
131001-88-2
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
IUPAC Name:
methyl 5-chloro-2-ethenylbenzoate
InChI:
InChI=1S/C10H9ClO2/c1-3-7-4-5-8(11)6-9(7)10(12)13-2/h3-6H,1H2,2H3
InChI Key:
GJDKSXOBYHDGHZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1C=C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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