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1170599-99-1 | 3-(4-nitrophenyl)imidazo[1,5-a]pyrazin-1-ol hydrochloride
CAS No: 1170599-99-1 Catalog No: AG019M0Z MDL No:MFCD10686688
Product Description
Catalog Number:
AG019M0Z
Chemical Name:
3-(4-nitrophenyl)imidazo[1,5-a]pyrazin-1-ol hydrochloride
CAS Number:
1170599-99-1
Molecular Formula:
C12H9ClN4O3
Molecular Weight:
292.6779
MDL Number:
MFCD10686688
IUPAC Name:
3-(4-nitrophenyl)imidazo[1,5-a]pyrazin-1-ol;hydrochloride
InChI:
InChI=1S/C12H8N4O3.ClH/c17-12-10-7-13-5-6-15(10)11(14-12)8-1-3-9(4-2-8)16(18)19;/h1-7,17H;1H
InChI Key:
XJTYBVZEFNKXLF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc(c2n1ccnc2)O.Cl
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.679g/mol
Monoisotopic Mass:
292.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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