2-bromo-3-iodobenzamide

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CAS Number

1261497-94-2

MDL Number

MFCD18391621

Smiles

C1ccc (c (c1C (=O) N) Br) I

Chemical Information

2-Bromo-3-iodobenzamide

CAS Number	1261497-94-2
PubChem CID	119009141
IUPAC Name	2-bromo-3-iodobenzamide
Molecular Formula	C7H5BrINO
Molecular Weight	325.93
XLogP	2.1
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	165

SMILES

C1=CC(=C(C(=C1)I)Br)C(=O)N

InChI

InChI=1S/C7H5BrINO/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H2,10,11)

InChIKey

VWKHELAQZWXHHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261497-94-2

CID: 119009141

Formula: C7H5BrINO

MW: 325.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	325.93
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	324.85992
Monoisotopic Mass	324.85992
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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