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1373223-77-8 | 1H-Pyrazolo[4,3-d]pyriMidine, 7-broMo-
CAS No: 1373223-77-8 Catalog No: AG00133N MDL No:MFCD22201113
Product Description
Catalog Number:
AG00133N
Chemical Name:
1H-Pyrazolo[4,3-d]pyriMidine, 7-broMo-
CAS Number:
1373223-77-8
Molecular Formula:
C5H3BrN4
Molecular Weight:
199.0081
MDL Number:
MFCD22201113
IUPAC Name:
7-bromo-1H-pyrazolo[4,3-d]pyrimidine
InChI:
InChI=1S/C5H3BrN4/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10)
InChI Key:
OVHUAIKTJHFDEI-UHFFFAOYSA-N
SMILES:
Brc1ncnc2c1[nH]nc2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.011g/mol
Monoisotopic Mass:
197.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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