Home Halogens 4-Bromo-2-chloro-6-methylbenzoic acid

4-Bromo-2-chloro-6-methylbenzoic acid

CAS No.:
877149-07-0
Catalog Number:
AG00IEQM
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
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Product Description
Catalog Number:
AG00IEQM
Chemical Name:
4-Bromo-2-chloro-6-methylbenzoic acid
CAS Number:
877149-07-0
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD19686179
IUPAC Name:
4-bromo-2-chloro-6-methylbenzoic acid
InChI:
InChI=1S/C8H6BrClO2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
ORIIFCWVWHSUIN-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)Cl)C(=O)O
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties