Home Halogens 2-Bromo-5-(bromomethyl)benzoic acid

2-Bromo-5-(bromomethyl)benzoic acid

CAS No.:
258861-91-5
Catalog Number:
AG00I4XY
Molecular Formula:
C8H6Br2O2
Molecular Weight:
293.9400
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Product Description
Catalog Number:
AG00I4XY
Chemical Name:
2-Bromo-5-(bromomethyl)benzoic acid
CAS Number:
258861-91-5
Molecular Formula:
C8H6Br2O2
Molecular Weight:
293.9400
MDL Number:
MFCD11847173
IUPAC Name:
2-bromo-5-(bromomethyl)benzoic acid
InChI:
InChI=1S/C8H6Br2O2/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
RQUDWCHBLVODNW-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C(=O)O)Br
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.871g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.942g/mol
Monoisotopic Mass:
291.873g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties