1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

CAS: 86404-63-9

Formula: C10H7F2N3O

SMILES: FC1=CC(F)=C(C=C1)C(=O)CN1C=NC=N1

IUPAC: 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

InChI: InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2

Composition: C (53.82%), H (3.16%), F (17.02%), N (18.83%), O (7.17%)

Molar Mass: 223.183

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	223.055718183
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XCHRPVARHBCFMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.47
Topological Polar Surface Area	47.78
Polarizability	19.11
Ring Count	2
Rotatable Bond Count	3

Suppliers

Life Chemicals USA, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	86404-63-9		$17.82-$83.16$17.82$18.81$20.79$39.60$59.40$83.16