3-(4-chloro-3,5-dimethylphenoxy)pyrrolidine

3-(4-chloro-3,5-dimethylphenoxy)pyrrolidine

CAS: 946726-85-8

Formula: C12H16ClNO

SMILES: CC1=CC(OC2CCNC2)=CC(C)=C1Cl

IUPAC: 3-(4-chloro-3,5-dimethylphenoxy)pyrrolidine

InChI: InChI=1/C12H16ClNO/c1-8-5-11(6-9(2)12(8)13)15-10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3

Composition: C (63.86%), H (7.15%), Cl (15.71%), N (6.21%), O (7.09%)

Molar Mass: 225.72

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.0920418
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QQYBCDKBKZQOGN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.7
Topological Polar Surface Area	21.26
Polarizability	24.55
Ring Count	2
Rotatable Bond Count	2

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