Home Halogens 5-chloro-2-(oxane-3-carbonyl)aniline hydrochloride

5-chloro-2-(oxane-3-carbonyl)aniline hydrochloride

CAS No.:
1955540-49-4
Catalog Number:
AG01B5NQ
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
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Product Description
Catalog Number:
AG01B5NQ
Chemical Name:
5-chloro-2-(oxane-3-carbonyl)aniline hydrochloride
CAS Number:
1955540-49-4
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
MDL Number:
MFCD30181155
IUPAC Name:
(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride
InChI:
InChI=1S/C12H14ClNO2.ClH/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8;/h3-4,6,8H,1-2,5,7,14H2;1H
InChI Key:
RSDUJGRZYZSBCW-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N)C(=O)C1CCCOC1.Cl
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.048g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.157g/mol
Monoisotopic Mass:
275.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties