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59855-11-7

59855-11-7 | 4-Carbamimidoylbenzamide hydrochloride

CAS No: 59855-11-7 Catalog No: AG003KNA MDL No:MFCD00013011

Product Description

Catalog Number:
AG003KNA
Chemical Name:
4-Carbamimidoylbenzamide hydrochloride
CAS Number:
59855-11-7
Molecular Formula:
C8H10ClN3O
Molecular Weight:
199.6375
MDL Number:
MFCD00013011
IUPAC Name:
4-carbamimidoylbenzamide;hydrochloride
InChI:
InChI=1S/C8H9N3O.ClH/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H3,9,10)(H2,11,12);1H
InChI Key:
IYIAWOSYBLPUNL-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccc(cc1)C(=O)N.Cl

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
199.638g/mol
Monoisotopic Mass:
199.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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