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145162-70-5

145162-70-5 | 1H-Pyrazole, 5-bromo-1-(phenylmethyl)-

CAS No: 145162-70-5 Catalog No: AG001KMU MDL No:MFCD23134843

Product Description

Catalog Number:
AG001KMU
Chemical Name:
1H-Pyrazole, 5-bromo-1-(phenylmethyl)-
CAS Number:
145162-70-5
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD23134843
IUPAC Name:
1-benzyl-5-bromopyrazole
InChI:
InChI=1S/C10H9BrN2/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
VTWQCBYADOOLSB-UHFFFAOYSA-N
SMILES:
Brc1ccnn1Cc1ccccc1

Properties

Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.995g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.1g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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