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34040-63-6 | Methyl3-(chloromethyl)benzoate
CAS No: 34040-63-6 Catalog No: AG003S39 MDL No:MFCD00157184
Product Description
Catalog Number:
AG003S39
Chemical Name:
Methyl3-(chloromethyl)benzoate
CAS Number:
34040-63-6
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00157184
IUPAC Name:
methyl 3-(chloromethyl)benzoate
InChI:
InChI=1S/C9H9ClO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6H2,1H3
InChI Key:
NEXHXAMAIMAABX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)CCl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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