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114382-20-6 | 1H-Pyrazole, 3-(2-bromophenyl)-
CAS No: 114382-20-6 Catalog No: AG000B7Z MDL No:
Product Description
Catalog Number:
AG000B7Z
Chemical Name:
1H-Pyrazole, 3-(2-bromophenyl)-
CAS Number:
114382-20-6
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
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
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