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249647-25-4 | Benzoic acid, 3-bromo-4-iodo-
CAS No: 249647-25-4 Catalog No: AG002Q0L MDL No:MFCD06808825
Product Description
Catalog Number:
AG002Q0L
Chemical Name:
Benzoic acid, 3-bromo-4-iodo-
CAS Number:
249647-25-4
Molecular Formula:
C7H4BrIO2
Molecular Weight:
326.9139
MDL Number:
MFCD06808825
IUPAC Name:
3-bromo-4-iodobenzoic acid
InChI:
InChI=1S/C7H4BrIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChI Key:
XTSUGBHLVDLGFX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Br)I
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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