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610-71-9 | 2,5-Dibromobenzoic Acid
CAS No: 610-71-9 Catalog No: AG003301 MDL No:MFCD00016494
Product Description
Catalog Number:
AG003301
Chemical Name:
2,5-Dibromobenzoic Acid
CAS Number:
610-71-9
Molecular Formula:
C7H4Br2O2
Molecular Weight:
279.9135
MDL Number:
MFCD00016494
IUPAC Name:
2,5-dibromobenzoic acid
InChI:
InChI=1S/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key:
SQQKOTVDGCJJKI-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)O)Br
EC Number:
210-234-7
NSC Number:
190697
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.856g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.915g/mol
Monoisotopic Mass:
277.858g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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