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148252-48-6 | Benzoic acid, 3-(2-chloro-2-propen-1-yl)-, ethyl ester
CAS No: 148252-48-6 Catalog No: AG001FKG MDL No:
Product Description
Catalog Number:
AG001FKG
Chemical Name:
Benzoic acid, 3-(2-chloro-2-propen-1-yl)-, ethyl ester
CAS Number:
148252-48-6
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
IUPAC Name:
ethyl 3-(2-chloroprop-2-enyl)benzoate
InChI:
InChI=1S/C12H13ClO2/c1-3-15-12(14)11-6-4-5-10(8-11)7-9(2)13/h4-6,8H,2-3,7H2,1H3
InChI Key:
DTHOIECOMNFYIP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)CC(=C)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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