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89671-05-6 | Benzoic acid, 3-chloro-, 2-propenyl ester
CAS No: 89671-05-6 Catalog No: AG0043ST MDL No:
Product Description
Catalog Number:
AG0043ST
Chemical Name:
Benzoic acid, 3-chloro-, 2-propenyl ester
CAS Number:
89671-05-6
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
IUPAC Name:
prop-2-enyl 3-chlorobenzoate
InChI:
InChI=1S/C10H9ClO2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h2-5,7H,1,6H2
InChI Key:
GGYGSYXSTMFGRY-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1cccc(c1)Cl
Properties
Complexity:
191
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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