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232275-51-3 | Benzoic acid, 4-bromo-2,6-dichloro-
CAS No: 232275-51-3 Catalog No: AG002MKI MDL No:MFCD11227148
Product Description
Catalog Number:
AG002MKI
Chemical Name:
Benzoic acid, 4-bromo-2,6-dichloro-
CAS Number:
232275-51-3
Molecular Formula:
C7H3BrCl2O2
Molecular Weight:
269.9075
MDL Number:
MFCD11227148
IUPAC Name:
4-bromo-2,6-dichlorobenzoic acid
InChI:
InChI=1S/C7H3BrCl2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChI Key:
SSWALODYSQLVPK-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cc(cc1Cl)Br
Properties
Complexity:
176
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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