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1622841-08-0 | Benzonitrile, 4-(3-bromo-1H-pyrazol-1-yl)-
CAS No: 1622841-08-0 Catalog No: AG01FBDK MDL No:
Product Description
Catalog Number:
AG01FBDK
Chemical Name:
Benzonitrile, 4-(3-bromo-1H-pyrazol-1-yl)-
CAS Number:
1622841-08-0
Molecular Formula:
C10H6BrN3
Molecular Weight:
248.0787
IUPAC Name:
4-(3-bromopyrazol-1-yl)benzonitrile
InChI:
InChI=1S/C10H6BrN3/c11-10-5-6-14(13-10)9-3-1-8(7-12)2-4-9/h1-6H
InChI Key:
ZFWUWLFIOZXFTH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1ccc(n1)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.975g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.083g/mol
Monoisotopic Mass:
246.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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