Home Halogens 1H-Pyrazole, 3-(2-bromophenyl)-

1H-Pyrazole, 3-(2-bromophenyl)-

CAS No.:
114382-20-6
Catalog Number:
AG000B7Z
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000B7Z
Chemical Name:
1H-Pyrazole, 3-(2-bromophenyl)-
CAS Number:
114382-20-6
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD01940435
IUPAC Name:
5-(2-bromophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H7BrN2/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChI Key:
VDHTYVJAQNZWTD-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1cc[nH]n1
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.073g/mol
Monoisotopic Mass:
221.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties