CAS 1128-54-7 | 3-Methyl-1-phenyl-1H-pyrazole | CAS Number 1128-54-7

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1128-54-7 | 3-Methyl-1-phenyl-1H-pyrazole

CAS No: 1128-54-7 Catalog No: AG003JOU MDL No:MFCD00003123

Product Description

Catalog Number:

AG003JOU

Chemical Name:

3-Methyl-1-phenyl-1H-pyrazole

CAS Number:

1128-54-7

Molecular Formula:

C10H10N2

Molecular Weight:

158.1998

MDL Number:

MFCD00003123

IUPAC Name:

3-methyl-1-phenylpyrazole

InChI:

InChI=1S/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3

InChI Key:

RJXLUGSJEMSDPK-UHFFFAOYSA-N

SMILES:

Cc1ccn(n1)c1ccccc1

EC Number:

214-438-7

NSC Number:

163372

Properties

Complexity:

141

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.204g/mol

Monoisotopic Mass:

158.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis and Antiulcer Activity Studies of 2-(1'-Iminothioimido Substituted)-1'-Substituted Phenylbenzoic acids.	Indian journal of pharmaceutical sciences 20080101
New luminescent cyclometalated iridium(III) diimine complexes as biological labeling reagents.	Inorganic chemistry 20031020