ethyl 2-[(6,7-difluoro-1,3-benzoxazol-2-yl)sulfanyl]acetate

ethyl 2-[(6,7-difluoro-1,3-benzoxazol-2-yl)sulfanyl]acetate

CAS: 1071369-10-2

Formula: C11H9F2NO3S

SMILES: CCOC(=O)CSC1=NC2=CC=C(F)C(F)=C2O1

IUPAC: ethyl 2-[(6,7-difluoro-1,3-benzoxazol-2-yl)sulfanyl]acetate

InChI: InChI=1S/C11H9F2NO3S/c1-2-16-8(15)5-18-11-14-7-4-3-6(12)9(13)10(7)17-11/h3-4H,2,5H2,1H3

Composition: C (48.35%), H (3.32%), F (13.91%), N (5.13%), O (17.56%), S (11.73%)

Molar Mass: 273.25

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	273.027120654
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NZZXHQBTINITSU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.14
Topological Polar Surface Area	52.33
Polarizability	24.52
Ring Count	2
Rotatable Bond Count	5

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