1,3-diethyl 2-{[(4-bromophenyl)imino]methyl}propanedioate

1,3-diethyl 2-{[(4-bromophenyl)imino]methyl}propanedioate

CAS: 101937-44-4

Formula: C14H16BrNO4

SMILES: CCOC(=O)C(C=NC1=CC=C(Br)C=C1)C(=O)OCC

IUPAC: 1,3-diethyl 2-{[(4-bromophenyl)imino]methyl}propanedioate

InChI: InChI=1S/C14H16BrNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-10(15)6-8-11/h5-9,12H,3-4H2,1-2H3

Composition: C (49.14%), H (4.71%), Br (23.35%), N (4.09%), O (18.70%)

Molar Mass: 342.189

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	341.026271
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XTUYJIHXVPOIIZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.76
Topological Polar Surface Area	64.96
Polarizability	30.19
Ring Count	1
Rotatable Bond Count	8

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