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50415-70-8 | Benzeneacetic acid, 4-chloro-a-methyl-, methyl ester
CAS No: 50415-70-8 Catalog No: AG01F8M4 MDL No:
Product Description
Catalog Number:
AG01F8M4
Chemical Name:
Benzeneacetic acid, 4-chloro-a-methyl-, methyl ester
CAS Number:
50415-70-8
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
IUPAC Name:
methyl 2-(4-chlorophenyl)propanoate
InChI:
InChI=1S/C10H11ClO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChI Key:
UGCFDZODATURDQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)Cl)C
Properties
Complexity:
174
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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