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116532-14-0

116532-14-0 | 2H-Benzimidazol-2-one, 4-amino-1,3-dihydro-, hydrochloride (1:1)

CAS No: 116532-14-0 Catalog No: AG000CQE MDL No:MFCD26793582

Product Description

Catalog Number:
AG000CQE
Chemical Name:
2H-Benzimidazol-2-one, 4-amino-1,3-dihydro-, hydrochloride (1:1)
CAS Number:
116532-14-0
Molecular Formula:
C7H8ClN3O
Molecular Weight:
185.6109
MDL Number:
MFCD26793582
IUPAC Name:
4-amino-1,3-dihydrobenzimidazol-2-one;hydrochloride
InChI:
InChI=1S/C7H7N3O.ClH/c8-4-2-1-3-5-6(4)10-7(11)9-5;/h1-3H,8H2,(H2,9,10,11);1H
InChI Key:
FURDKQMROXITQE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)cccc2N.Cl

Properties

Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
185.611g/mol
Monoisotopic Mass:
185.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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