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17635-42-6 | 1H-Pyrazole, 5-bromo-1-phenyl-
CAS No: 17635-42-6 Catalog No: AG0024LN MDL No:MFCD06661860
Product Description
Catalog Number:
AG0024LN
Chemical Name:
1H-Pyrazole, 5-bromo-1-phenyl-
CAS Number:
17635-42-6
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD06661860
IUPAC Name:
5-bromo-1-phenylpyrazole
InChI:
InChI=1S/C9H7BrN2/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H
InChI Key:
LCJWNJQIZASEDB-UHFFFAOYSA-N
SMILES:
Brc1ccnn1c1ccccc1
Properties
Complexity:
146
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:
0
Isotope Atom Count:
0
Molecular Weight:
223.073g/mol
Monoisotopic Mass:
221.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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