Home Halogens 4-chloro-3-propylbenzoic acid

4-chloro-3-propylbenzoic acid

CAS No.:
42044-91-7
Catalog Number:
AG01B16V
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
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Product Description
Catalog Number:
AG01B16V
Chemical Name:
4-chloro-3-propylbenzoic acid
CAS Number:
42044-91-7
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD20649678
IUPAC Name:
4-chloro-3-propylbenzoic acid
InChI:
InChI=1S/C10H11ClO2/c1-2-3-7-6-8(10(12)13)4-5-9(7)11/h4-6H,2-3H2,1H3,(H,12,13)
InChI Key:
KLTNVPFKUYHPGE-UHFFFAOYSA-N
SMILES:
CCCc1cc(ccc1Cl)C(=O)O
Properties
Complexity:
182  
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:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties