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179554-33-7 | Benzoic acid, 3-(chloromethyl)-2,6-dimethyl-
CAS No: 179554-33-7 Catalog No: AG00273X MDL No:MFCD09032020
Product Description
Catalog Number:
AG00273X
Chemical Name:
Benzoic acid, 3-(chloromethyl)-2,6-dimethyl-
CAS Number:
179554-33-7
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD09032020
IUPAC Name:
3-(chloromethyl)-2,6-dimethylbenzoic acid
InChI:
InChI=1S/C10H11ClO2/c1-6-3-4-8(5-11)7(2)9(6)10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChI Key:
MZNSTSYKTYQZCP-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1C)C(=O)O)C
Properties
Complexity:
193
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:
1
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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