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228722-01-8 | 3-cyanobenzimidamide hydrochloride
CAS No: 228722-01-8 Catalog No: AG003930 MDL No:MFCD22480874
Product Description
Catalog Number:
AG003930
Chemical Name:
3-cyanobenzimidamide hydrochloride
CAS Number:
228722-01-8
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
MDL Number:
MFCD22480874
IUPAC Name:
3-cyanobenzenecarboximidamide;hydrochloride
InChI:
InChI=1S/C8H7N3.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4H,(H3,10,11);1H
InChI Key:
UIISHESBWIBGED-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=N)N.Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.623g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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