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Home > Bromides > 1160573-30-7
1160573-30-7 | 2-Chloro-4,5-dibromo-6-fluorobenzoic acid
CAS No: 1160573-30-7 Catalog No: AG01FBGX MDL No:MFCD11845999
Product Description
Catalog Number:
AG01FBGX
Chemical Name:
2-Chloro-4,5-dibromo-6-fluorobenzoic acid
CAS Number:
1160573-30-7
Molecular Formula:
C7H2Br2ClFO2
Molecular Weight:
332.3490
MDL Number:
MFCD11845999
IUPAC Name:
3,4-dibromo-6-chloro-2-fluorobenzoic acid
InChI:
InChI=1S/C7H2Br2ClFO2/c8-2-1-3(10)4(7(12)13)6(11)5(2)9/h1H,(H,12,13)
InChI Key:
QURNCQBTZOBERF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cc(c(c1F)Br)Br
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.807g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.347g/mol
Monoisotopic Mass:
329.809g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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