2-(difluoromethoxy)-1-isothiocyanato-4-methylbenzene

2-(difluoromethoxy)-1-isothiocyanato-4-methylbenzene

CAS: 832739-67-0

Formula: C9H7F2NOS

SMILES: CC1=CC=C(N=C=S)C(OC(F)F)=C1

IUPAC: 2-(difluoromethoxy)-1-isothiocyanato-4-methylbenzene

InChI: InChI=1S/C9H7F2NOS/c1-6-2-3-7(12-5-14)8(4-6)13-9(10)11/h2-4,9H,1H3

Composition: C (50.23%), H (3.28%), F (17.66%), N (6.51%), O (7.43%), S (14.90%)

Molar Mass: 215.22

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.021641349
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	STGJWEVIDZOIID-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.63
Topological Polar Surface Area	21.59
Polarizability	19.77
Ring Count	1
Rotatable Bond Count	3

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