ethyl 3-amino-3-(3,4-dichlorophenyl)propanoate

ethyl 3-amino-3-(3,4-dichlorophenyl)propanoate

CAS: 380842-80-8

Formula: C11H13Cl2NO2

SMILES: CCOC(=O)CC(N)C1=CC(Cl)=C(Cl)C=C1

IUPAC: ethyl 3-amino-3-(3,4-dichlorophenyl)propanoate

InChI: InChI=1/C11H13Cl2NO2/c1-2-16-11(15)6-10(14)7-3-4-8(12)9(13)5-7/h3-5,10H,2,6,14H2,1H3

Composition: C (50.40%), H (5.00%), Cl (27.05%), N (5.34%), O (12.21%)

Molar Mass: 262.13

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	261.0323341
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AHLAIISGKFGMSS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.11
Topological Polar Surface Area	52.32
Polarizability	25.63
Ring Count	1
Rotatable Bond Count	5

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