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71222-44-1 | Imidazo[4,5-d][1,3]diazepin-8(1H)-one, 4,7-dihydro-,monohydrochloride
CAS No: 71222-44-1 Catalog No: AG00IC5M MDL No:
Product Description
Catalog Number:
AG00IC5M
Chemical Name:
Imidazo[4,5-d][1,3]diazepin-8(1H)-one, 4,7-dihydro-,monohydrochloride
CAS Number:
71222-44-1
Molecular Formula:
C6H7ClN4O
Molecular Weight:
186.5990
IUPAC Name:
4,7-dihydro-1H-imidazo[4,5-d][1,3]diazepin-8-one;hydrochloride
InChI:
InChI=1S/C6H6N4O.ClH/c11-4-1-7-2-9-6-5(4)8-3-10-6;/h2-3H,1H2,(H,7,9)(H,8,10);1H
InChI Key:
IOUSBGFCJXEEEL-UHFFFAOYSA-N
SMILES:
O=C1CN=CNc2c1[nH]cn2.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
186.599g/mol
Monoisotopic Mass:
186.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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