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20871-01-6 | Benzoic acid, 2,5-dibromo-4-methyl-
CAS No: 20871-01-6 Catalog No: AG002JUK MDL No:MFCD10574706
Product Description
Catalog Number:
AG002JUK
Chemical Name:
Benzoic acid, 2,5-dibromo-4-methyl-
CAS Number:
20871-01-6
Molecular Formula:
C8H6Br2O2
Molecular Weight:
293.9400
MDL Number:
MFCD10574706
IUPAC Name:
2,5-dibromo-4-methylbenzoic acid
InChI:
InChI=1S/C8H6Br2O2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
SQMRPUDOCRCFAO-UHFFFAOYSA-N
SMILES:
Brc1cc(C(=O)O)c(cc1C)Br
Properties
Complexity:
184
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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