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339010-69-4 | 3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CAS No: 339010-69-4 Catalog No: AG01EHQX MDL No:MFCD00173620
Product Description
Catalog Number:
AG01EHQX
Chemical Name:
3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CAS Number:
339010-69-4
Molecular Formula:
C8H5BrN4
Molecular Weight:
237.0561
MDL Number:
MFCD00173620
IUPAC Name:
3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
InChI:
InChI=1S/C8H5BrN4/c1-5-7(9)8-11-3-6(2-10)4-13(8)12-5/h3-4H,1H3
InChI Key:
PTAZGSJTFBERSM-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2n(c1)nc(c2Br)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.06g/mol
Monoisotopic Mass:
235.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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