Home Halogens 6-chloro-3-fluoro-2-methylbenzoic acid

6-chloro-3-fluoro-2-methylbenzoic acid

CAS No.:
1376760-14-3
Catalog Number:
AG01BHAB
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
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Product Description
Catalog Number:
AG01BHAB
Chemical Name:
6-chloro-3-fluoro-2-methylbenzoic acid
CAS Number:
1376760-14-3
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD23712082
IUPAC Name:
6-chloro-3-fluoro-2-methylbenzoic acid
InChI:
InChI=1S/C8H6ClFO2/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
VGWHHHAMDCAJNQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ccc(c1C)F
Properties
Complexity:
186  
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:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties