Home Halogens 4-(4-chlorophenyl)-3-fluorobenzoic acid

4-(4-chlorophenyl)-3-fluorobenzoic acid

CAS No.:
1261904-48-6
Catalog Number:
AG00HKD5
Molecular Formula:
C13H8ClFO2
Molecular Weight:
250.6528
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Product Description
Catalog Number:
AG00HKD5
Chemical Name:
4-(4-chlorophenyl)-3-fluorobenzoic acid
CAS Number:
1261904-48-6
Molecular Formula:
C13H8ClFO2
Molecular Weight:
250.6528
MDL Number:
MFCD16509401
IUPAC Name:
4-(4-chlorophenyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C13H8ClFO2/c14-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)15/h1-7H,(H,16,17)
InChI Key:
IVJCRNXCSBLDNU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccc(cc1F)C(=O)O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.02g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.653g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties