Home Halogens Benzenebutanoic acid, 3,4-dichloro-

Benzenebutanoic acid, 3,4-dichloro-

CAS No.:
25157-66-8
Catalog Number:
AG002QOF
Molecular Formula:
C10H10Cl2O2
Molecular Weight:
233.0912
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Product Description
Catalog Number:
AG002QOF
Chemical Name:
Benzenebutanoic acid, 3,4-dichloro-
CAS Number:
25157-66-8
Molecular Formula:
C10H10Cl2O2
Molecular Weight:
233.0912
MDL Number:
MFCD02167688
IUPAC Name:
4-(3,4-dichlorophenyl)butanoic acid
InChI:
InChI=1S/C10H10Cl2O2/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H,13,14)
InChI Key:
DCRORIUPKZBSCY-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.088g/mol
Monoisotopic Mass:
232.006g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties