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40546-41-6

40546-41-6 | Ethyl 4-chlorobenzimidate hydrochloride

CAS No: 40546-41-6 Catalog No: AG0037X0 MDL No:MFCD00196041

Product Description

Catalog Number:
AG0037X0
Chemical Name:
Ethyl 4-chlorobenzimidate hydrochloride
CAS Number:
40546-41-6
Molecular Formula:
C9H11Cl2NO
Molecular Weight:
220.0957
MDL Number:
MFCD00196041
IUPAC Name:
ethyl 4-chlorobenzenecarboximidate;hydrochloride
InChI:
InChI=1S/C9H10ClNO.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,11H,2H2,1H3;1H
InChI Key:
LMVAXOJOCSZBFJ-UHFFFAOYSA-N
SMILES:
CCOC(=N)c1ccc(cc1)Cl.Cl

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.093g/mol
Monoisotopic Mass:
219.022g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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