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7697-29-2 | 4-Chloro-3-methylbenzoic acid
CAS No: 7697-29-2 Catalog No: AG0057AC MDL No:MFCD00045853
Product Description
Catalog Number:
AG0057AC
Chemical Name:
4-Chloro-3-methylbenzoic acid
CAS Number:
7697-29-2
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00045853
IUPAC Name:
4-chloro-3-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key:
MRUKIIWRMSYKML-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)Cl
NSC Number:
137157
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
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