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15721-27-4 | Benzoic acid, 2-chloro-, ethenyl ester
CAS No: 15721-27-4 Catalog No: AG001PB4 MDL No:MFCD00059479
Product Description
Catalog Number:
AG001PB4
Chemical Name:
Benzoic acid, 2-chloro-, ethenyl ester
CAS Number:
15721-27-4
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD00059479
IUPAC Name:
ethenyl 2-chlorobenzoate
InChI:
InChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2
InChI Key:
ZJIHUSWGELHYBJ-UHFFFAOYSA-N
SMILES:
C=COC(=O)c1ccccc1Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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