Home Halogens 1H-Pyrazole, 1-[(4-bromophenyl)methyl]-

1H-Pyrazole, 1-[(4-bromophenyl)methyl]-

CAS No.:
1159826-63-7
Catalog Number:
AG000HCL
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
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Product Description
Catalog Number:
AG000HCL
Chemical Name:
1H-Pyrazole, 1-[(4-bromophenyl)methyl]-
CAS Number:
1159826-63-7
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD12068403
IUPAC Name:
1-[(4-bromophenyl)methyl]pyrazole
InChI:
InChI=1S/C10H9BrN2/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2
InChI Key:
JWKUEIBUDOSNAH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cn1cccn1
Properties
Complexity:
155  
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:
2.5  
Properties