Home Other Building Blocks 2-Bromo-5-methoxy-3-methylbenzoic acid

2-Bromo-5-methoxy-3-methylbenzoic acid

CAS No.:
174417-54-0
Catalog Number:
AG001ZNA
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001ZNA
Chemical Name:
2-Bromo-5-methoxy-3-methylbenzoic acid
CAS Number:
174417-54-0
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD09800403
IUPAC Name:
2-bromo-5-methoxy-3-methylbenzoic acid
InChI:
InChI=1S/C9H9BrO3/c1-5-3-6(13-2)4-7(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
OEHDWSKLTWRFOM-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C(=O)O)Br
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