Home Halogens 3-bromo-2-methoxy-6-methylbenzoic acid

3-bromo-2-methoxy-6-methylbenzoic acid

CAS No.:
681467-88-9
Catalog Number:
AG01C3D0
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
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Product Description
Catalog Number:
AG01C3D0
Chemical Name:
3-bromo-2-methoxy-6-methylbenzoic acid
CAS Number:
681467-88-9
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD01846085
IUPAC Name:
3-bromo-2-methoxy-6-methylbenzoic acid
InChI:
InChI=1S/C9H9BrO3/c1-5-3-4-6(10)8(13-2)7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
APOARSSCSJLLOD-UHFFFAOYSA-N
SMILES:
COc1c(Br)ccc(c1C(=O)O)C
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties