ethyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate

ethyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate

CAS: 18585-06-3

Formula: C10H9ClF3NO2

SMILES: CCOC(=O)NC1=CC=C(Cl)C(=C1)C(F)(F)F

IUPAC: ethyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate

InChI: InChI=1S/C10H9ClF3NO2/c1-2-17-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,15,16)

Composition: C (44.88%), H (3.39%), Cl (13.25%), F (21.30%), N (5.23%), O (11.96%)

Molar Mass: 267.63

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.0273907
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BAFPGGUKCVCSKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.07
Topological Polar Surface Area	38.33
Polarizability	21.01
Ring Count	1
Rotatable Bond Count	4

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