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37946-43-3

37946-43-3 | Benzeneethanimidic acid, 3-bromo-4-methoxy-, ethyl ester, hydrochloride

CAS No: 37946-43-3 Catalog No: AG01F4W2 MDL No:

Product Description

Catalog Number:
AG01F4W2
Chemical Name:
Benzeneethanimidic acid, 3-bromo-4-methoxy-, ethyl ester, hydrochloride
CAS Number:
37946-43-3
Molecular Formula:
C11H15BrClNO2
Molecular Weight:
308.5993
IUPAC Name:
ethyl 2-(3-bromo-4-methoxyphenyl)ethanimidate;hydrochloride
InChI:
InChI=1S/C11H14BrNO2.ClH/c1-3-15-11(13)7-8-4-5-10(14-2)9(12)6-8;/h4-6,13H,3,7H2,1-2H3;1H
InChI Key:
YUZADGRXDTZEGN-UHFFFAOYSA-N
SMILES:
CCOC(=N)Cc1ccc(c(c1)Br)OC.Cl

Properties

Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.997g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.6g/mol
Monoisotopic Mass:
306.997g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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