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ethyl 2-(5-bromo-2-methoxyphenyl)ethanimidate

ethyl 2-(5-bromo-2-methoxyphenyl)ethanimidate

CAS: 750521-08-5

Formula: C11H14BrNO2

SMILES: CCOC(=N)CC1=C(OC)C=CC(Br)=C1

IUPAC: ethyl 2-(5-bromo-2-methoxyphenyl)ethanimidate

InChI: InChI=1S/C11H14BrNO2/c1-3-15-11(13)7-8-6-9(12)4-5-10(8)14-2/h4-6,13H,3,7H2,1-2H3

Composition: C (48.55%), H (5.19%), Br (29.36%), N (5.15%), O (11.76%)

Molar Mass: 272.142

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 271.020792
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZECXHHASCUTNTB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.71
Topological Polar Surface Area 42.31
Polarizability 24.43
Ring Count 1
Rotatable Bond Count 5

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