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Home > Bromides > 1022128-96-6
1022128-96-6 | Benzoic acid, 2-bromo-6-iodo-
CAS No: 1022128-96-6 Catalog No: AG0006XU MDL No:MFCD11036149
Product Description
Catalog Number:
AG0006XU
Chemical Name:
Benzoic acid, 2-bromo-6-iodo-
CAS Number:
1022128-96-6
Molecular Formula:
C7H4BrIO2
Molecular Weight:
326.9139
MDL Number:
MFCD11036149
IUPAC Name:
2-bromo-6-iodobenzoic acid
InChI:
InChI=1S/C7H4BrIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChI Key:
PTQGEYMPMWQTDM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)cccc1I
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.844g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.915g/mol
Monoisotopic Mass:
325.844g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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