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1179798-11-8 | 4-((4-Bromo-1H-pyrazol-1-yl)methyl)pyridine
CAS No: 1179798-11-8 Catalog No: AG003KUN MDL No:MFCD09909660
Product Description
Catalog Number:
AG003KUN
Chemical Name:
4-((4-Bromo-1H-pyrazol-1-yl)methyl)pyridine
CAS Number:
1179798-11-8
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
MDL Number:
MFCD09909660
IUPAC Name:
4-[(4-bromopyrazol-1-yl)methyl]pyridine
InChI:
InChI=1S/C9H8BrN3/c10-9-5-12-13(7-9)6-8-1-3-11-4-2-8/h1-5,7H,6H2
InChI Key:
XDBLWTXWXBNOCJ-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)Cc1ccncc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.088g/mol
Monoisotopic Mass:
236.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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