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2- (3-Bromophenyl) ethanimidamide hydrochloride

CAT: 0926-WXB15385-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WXB15385-01Size:50 mg
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CAS Number
1196153-85-1
MDL Number
MFCD10697940
Smiles
C1=CC (=CC (=C1) Br) CC (=N) N.Cl
Molecular Formula
C8H10BrClN2
Molecular Weight
249.53 g/mol
Controlled
No

Chemical Information

2-(3-Bromophenyl)ethanimidamide hydrochloride
CAS Number1196153-85-1
PubChem CID71758696
IUPAC Name2-(3-bromophenyl)ethanimidamide;hydrochloride
Molecular FormulaC8H10BrClN2
Molecular Weight249.53
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
C1=CC(=CC(=C1)Br)CC(=N)N.Cl
InChI
InChI=1S/C8H9BrN2.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey
ACFMBOJLOMRMJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromophenyl)ethanimidamide hydrochloride
CAS: 1196153-85-1
CID: 71758696
Formula: C8H10BrClN2
MW: 249.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.53
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass247.97159
Monoisotopic Mass247.97159
Topological Polar Surface Area49.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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