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6342-60-5 | 2-Chloro-5-Methylbenzoic Acid
CAS No: 6342-60-5 Catalog No: AG0036Z0 MDL No:MFCD00045798
Product Description
Catalog Number:
AG0036Z0
Chemical Name:
2-Chloro-5-Methylbenzoic Acid
CAS Number:
6342-60-5
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00045798
IUPAC Name:
2-chloro-5-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
LEBWXJZAWTVKFL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)Cl
NSC Number:
46623
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 2-[4-Chloro-3-(4-ethoxy-benz-yl)phen-yl]-1,3-dithiane. | Acta crystallographica. Section E, Structure reports online 20100601 |
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