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Home > Bromides > 1160573-32-9
1160573-32-9 | 4-Bromo-2-chloro-6-fluoro-5-iodobenzoic acid
CAS No: 1160573-32-9 Catalog No: AG01FAJY MDL No:MFCD11846001
Product Description
Catalog Number:
AG01FAJY
Chemical Name:
4-Bromo-2-chloro-6-fluoro-5-iodobenzoic acid
CAS Number:
1160573-32-9
Molecular Formula:
C7H2BrClFIO2
Molecular Weight:
379.3495
MDL Number:
MFCD11846001
IUPAC Name:
4-bromo-6-chloro-2-fluoro-3-iodobenzoic acid
InChI:
InChI=1S/C7H2BrClFIO2/c8-2-1-3(9)4(7(12)13)5(10)6(2)11/h1H,(H,12,13)
InChI Key:
ORNHTXANAZCLNY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cc(c(c1F)I)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.796g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.348g/mol
Monoisotopic Mass:
377.796g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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