Home Halogens 3-chloro-4-(propan-2-yl)benzoic acid

3-chloro-4-(propan-2-yl)benzoic acid

CAS No.:
161622-06-6
Catalog Number:
AG01AG1L
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
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Product Description
Catalog Number:
AG01AG1L
Chemical Name:
3-chloro-4-(propan-2-yl)benzoic acid
CAS Number:
161622-06-6
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD20640283
IUPAC Name:
3-chloro-4-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H11ClO2/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6H,1-2H3,(H,12,13)
InChI Key:
QQTIONOTZKDOIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)C(C)C
Properties
Complexity:
191  
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:
3.2  
Properties