ethyl 3-[(2-aminophenyl)amino]-2-chlorobut-2-enoate

ethyl 3-[(2-aminophenyl)amino]-2-chlorobut-2-enoate

CAS: 115525-73-0

Formula: C12H15ClN2O2

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

IUPAC: ethyl 3-[(2-aminophenyl)amino]-2-chlorobut-2-enoate

InChI: InChI=1S/C12H15ClN2O2/c1-3-17-12(16)11(13)8(2)15-10-7-5-4-6-9(10)14/h4-7,15H,3,14H2,1-2H3

Composition: C (56.59%), H (5.94%), Cl (13.92%), N (11.00%), O (12.56%)

Molar Mass: 254.71

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.0822054
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JBFJITKETSDDSD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.09
Topological Polar Surface Area	64.35
Polarizability	26.04
Ring Count	1
Rotatable Bond Count	5

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