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

3-(chloromethyl)-4-fluorobenzoic acid

CAS No.:
1378830-30-8
Catalog Number:
AG01BFVP
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
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Product Description
Catalog Number:
AG01BFVP
Chemical Name:
3-(chloromethyl)-4-fluorobenzoic acid
CAS Number:
1378830-30-8
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD18378690
IUPAC Name:
3-(chloromethyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C8H6ClFO2/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)
InChI Key:
RRZGLPOCHNIWBK-UHFFFAOYSA-N
SMILES:
ClCc1cc(ccc1F)C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties