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87488-84-4 | 1-(2-Bromophenyl)-1H-pyrazole
CAS No: 87488-84-4 Catalog No: AG004I1W MDL No:MFCD06659065
Product Description
Catalog Number:
AG004I1W
Chemical Name:
1-(2-Bromophenyl)-1H-pyrazole
CAS Number:
87488-84-4
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD06659065
IUPAC Name:
1-(2-bromophenyl)pyrazole
InChI:
InChI=1S/C9H7BrN2/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H
InChI Key:
QNDJHGODPWAKAO-UHFFFAOYSA-N
SMILES:
Brc1ccccc1n1cccn1
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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