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4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]-3-fluoroaniline

4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]-3-fluoroaniline - CAS 1975119-37-9

Catalog:	BB051150
Product Name:	4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]-3-fluoroaniline
CAS:	1975119-37-9
Synonyms:	Benzenamine, 4-[3-(difluoromethyl)-4-methyl-1H-pyrazol-1-yl]-3-fluoro-

Technical Data

Computed Properties

IUPAC Name:	4-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-3-fluoroaniline
Molecular Weight:	241.21
Molecular Formula:	C11H10F3N3
Canonical SMILES:	CC1=CN(N=C1C(F)F)C2=C(C=C(C=C2)N)F
InChI:	InChI=1S/C11H10F3N3/c1-6-5-17(16-10(6)11(13)14)9-3-2-7(15)4-8(9)12/h2-5,11H,15H2,1H3
InChI Key:	YXGXFRLSDNTUHD-UHFFFAOYSA-N
Boiling Point:	364.0±42.0°C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.08268182
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.08268182
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3