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7697-25-8 | 2-Chloro-4-methylbenzoic acid
CAS No: 7697-25-8 Catalog No: AG0036N1 MDL No:MFCD03094667
Product Description
Catalog Number:
AG0036N1
Chemical Name:
2-Chloro-4-methylbenzoic acid
CAS Number:
7697-25-8
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD03094667
IUPAC Name:
2-chloro-4-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key:
MYJUBDJLKREUGU-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)C(=O)O
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:
3.4
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