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15115-52-3 | 1H-Pyrazole, 4-bromo-1-phenyl-
CAS No: 15115-52-3 Catalog No: AG001N4T MDL No:MFCD00234505
Product Description
Catalog Number:
AG001N4T
Chemical Name:
1H-Pyrazole, 4-bromo-1-phenyl-
CAS Number:
15115-52-3
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD00234505
IUPAC Name:
4-bromo-1-phenylpyrazole
InChI:
InChI=1S/C9H7BrN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
InChI Key:
DWPRPWBNLNTEFZ-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)c1ccccc1
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:
2.6
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