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Home > Bromides > 1227958-63-5
1227958-63-5 | 1H-Pyrazole, 1-(4-bromophenyl)-5-methyl-
CAS No: 1227958-63-5 Catalog No: AG000JH8 MDL No:MFCD15527657
Product Description
Catalog Number:
AG000JH8
Chemical Name:
1H-Pyrazole, 1-(4-bromophenyl)-5-methyl-
CAS Number:
1227958-63-5
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD15527657
IUPAC Name:
1-(4-bromophenyl)-5-methylpyrazole
InChI:
InChI=1S/C10H9BrN2/c1-8-6-7-12-13(8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChI Key:
NXLMUQRZRCYGCO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nccc1C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.1g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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