Home Halogens 2-(3-chloro-4-methylphenyl)acetic acid

2-(3-chloro-4-methylphenyl)acetic acid

CAS No.:
1000515-63-8
Catalog Number:
AG01C7BR
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
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Product Description
Catalog Number:
AG01C7BR
Chemical Name:
2-(3-chloro-4-methylphenyl)acetic acid
CAS Number:
1000515-63-8
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD09924904
IUPAC Name:
2-(3-chloro-4-methylphenyl)acetic acid
InChI:
InChI=1S/C9H9ClO2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
BHGQSYHHKWNLNZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)Cl)C
Properties
Complexity:
170  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties