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22921-68-2 | Benzoic acid, 2-bromo-5-methoxy-
CAS No: 22921-68-2 Catalog No: AG002LIG MDL No:MFCD00020214
Product Description
Catalog Number:
AG002LIG
Chemical Name:
Benzoic acid, 2-bromo-5-methoxy-
CAS Number:
22921-68-2
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD00020214
IUPAC Name:
2-bromo-5-methoxybenzoic acid
InChI:
InChI=1S/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
ODHJOROUCITYNF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)O)Br
EC Number:
245-329-2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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