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1184673-82-2 | 1-(4-BROMOPHENYL)-4-METHYL-1H-PYRAZOLE
CAS No: 1184673-82-2 Catalog No: AG01EL6F MDL No:MFCD12800583
Product Description
Catalog Number:
AG01EL6F
Chemical Name:
1-(4-BROMOPHENYL)-4-METHYL-1H-PYRAZOLE
CAS Number:
1184673-82-2
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD12800583
IUPAC Name:
1-(4-bromophenyl)-4-methylpyrazole
InChI:
InChI=1S/C10H9BrN2/c1-8-6-12-13(7-8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChI Key:
SFYPWVBEUPHLBJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1ncc(c1)C
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:
2.9
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