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2-Bromo-N'-hydroxybenzenecarboximidamide

CAT: 0127-OR72177-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR72177-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132475-60-6
MDL Number
MFCD05662833
Purity
=95%
Smiles
ONC(=N)c1ccccc1Br

Chemical Information

2-Bromo-N-hydroxy-benzamidine
CAS Number132475-60-6
PubChem CID4069088
IUPAC Name2-bromo-N'-hydroxybenzenecarboximidamide
Molecular FormulaC7H7BrN2O
Molecular Weight215.05
XLogP1
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
C1=CC=C(C(=C1)C(=NO)N)Br
InChI
InChI=1S/C7H7BrN2O/c8-6-4-2-1-3-5(6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKey
ONQOWPJQZVMMQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-N-hydroxy-benzamidine
CAS: 132475-60-6
CID: 4069088
Formula: C7H7BrN2O
MW: 215.05
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight215.05
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass213.97418
Monoisotopic Mass213.97418
Topological Polar Surface Area58.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes