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294877-33-1 | 1H-Pyrazole, 1-(3-bromophenyl)-
CAS No: 294877-33-1 Catalog No: AG002YJT MDL No:MFCD06797472
Product Description
Catalog Number:
AG002YJT
Chemical Name:
1H-Pyrazole, 1-(3-bromophenyl)-
CAS Number:
294877-33-1
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD06797472
IUPAC Name:
1-(3-bromophenyl)pyrazole
InChI:
InChI=1S/C9H7BrN2/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H
InChI Key:
KUWAIOZTKMAIPI-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)n1cccn1
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:
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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