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791137-20-7 | 5-Bromo-2,4-dichlorobenzoic acid
CAS No: 791137-20-7 Catalog No: AG005BNA MDL No:MFCD09910550
Product Description
Catalog Number:
AG005BNA
Chemical Name:
5-Bromo-2,4-dichlorobenzoic acid
CAS Number:
791137-20-7
Molecular Formula:
C7H3BrCl2O2
Molecular Weight:
269.9075
MDL Number:
MFCD09910550
IUPAC Name:
5-bromo-2,4-dichlorobenzoic acid
InChI:
InChI=1S/C7H3BrCl2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12)
InChI Key:
HWUOPUMSIRQTGW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1Cl)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.869g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.903g/mol
Monoisotopic Mass:
267.869g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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