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18841-64-0 | Benzenepropanoic acid, α-chloro-, methyl ester
CAS No: 18841-64-0 Catalog No: AG002GVP MDL No:MFCD14538826
Product Description
Catalog Number:
AG002GVP
Chemical Name:
Benzenepropanoic acid, α-chloro-, methyl ester
CAS Number:
18841-64-0
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD14538826
IUPAC Name:
methyl 2-chloro-3-phenylpropanoate
InChI:
InChI=1S/C10H11ClO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChI Key:
DWKOUAHXOPJAHG-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccccc1)Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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