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13808-66-7 | 1H-Pyrazole, 4-bromo-3-methyl-5-phenyl-
CAS No: 13808-66-7 Catalog No: AG0017YT MDL No:
Product Description
Catalog Number:
AG0017YT
Chemical Name:
1H-Pyrazole, 4-bromo-3-methyl-5-phenyl-
CAS Number:
13808-66-7
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
IUPAC Name:
4-bromo-5-methyl-3-phenyl-1H-pyrazole
InChI:
InChI=1S/C10H9BrN2/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)
InChI Key:
OMGCVNHAFYEVRU-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(c1Br)c1ccccc1
Properties
Complexity:
168
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:
1
Isotope Atom Count:
0
Molecular Weight:
237.1g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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