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Home > Bromides > 1321613-01-7
1321613-01-7 | Benzoic acid, 4-bromo-2-chloro-6-fluoro-
CAS No: 1321613-01-7 Catalog No: AG0010BI MDL No:MFCD18917163
Product Description
Catalog Number:
AG0010BI
Chemical Name:
Benzoic acid, 4-bromo-2-chloro-6-fluoro-
CAS Number:
1321613-01-7
Molecular Formula:
C7H3BrClFO2
Molecular Weight:
253.4529
MDL Number:
MFCD18917163
IUPAC Name:
4-bromo-2-chloro-6-fluorobenzoic acid
InChI:
InChI=1S/C7H3BrClFO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChI Key:
DKMRNJAOJFCMPT-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(c(c1)Cl)C(=O)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.899g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.451g/mol
Monoisotopic Mass:
251.899g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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