N-(2H-1,3-benzodioxol-5-yl)-2-chloropropanamide

N-(2H-1,3-benzodioxol-5-yl)-2-chloropropanamide

CAS: 90476-87-2

Formula: C10H10ClNO3

SMILES: CC(Cl)C(=O)NC1=CC2=C(OCO2)C=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-2-chloropropanamide

InChI: InChI=1/C10H10ClNO3/c1-6(11)10(13)12-7-2-3-8-9(4-7)15-5-14-8/h2-4,6H,5H2,1H3,(H,12,13)

Composition: C (52.76%), H (4.43%), Cl (15.57%), N (6.15%), O (21.08%)

Molar Mass: 227.64

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	227.0349209
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YTMODFCWNOUDOG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.94
Topological Polar Surface Area	47.56
Polarizability	21.42
Ring Count	2
Rotatable Bond Count	2

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