3-chloro-4-(oxolan-2-ylmethoxy)aniline

3-chloro-4-(oxolan-2-ylmethoxy)aniline

CAS: 943117-19-9

Formula: C11H14ClNO2

SMILES: NC1=CC(Cl)=C(OCC2CCCO2)C=C1

IUPAC: 3-chloro-4-[(oxolan-2-yl)methoxy]aniline

InChI: InChI=1/C11H14ClNO2/c12-10-6-8(13)3-4-11(10)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7,13H2

Composition: C (58.03%), H (6.20%), Cl (15.57%), N (6.15%), O (14.05%)

Molar Mass: 227.69

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	227.0713064
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BXBUDXWNITUWFO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.28
Topological Polar Surface Area	44.48
Polarizability	23.22
Ring Count	2
Rotatable Bond Count	3

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