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Home Halogens 4-chloro-3-methoxy-N-(thiophen-3-ylmethyl)aniline hydrochloride

4-chloro-3-methoxy-N-(thiophen-3-ylmethyl)aniline hydrochloride

CAS No.:
1803567-12-5
Catalog Number:
AG01B7T7
Molecular Formula:
C12H13Cl2NOS
Molecular Weight:
290.2087
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Product Description
Catalog Number:
AG01B7T7
Chemical Name:
4-chloro-3-methoxy-N-(thiophen-3-ylmethyl)aniline hydrochloride
CAS Number:
1803567-12-5
Molecular Formula:
C12H13Cl2NOS
Molecular Weight:
290.2087
MDL Number:
MFCD28246327
IUPAC Name:
4-chloro-3-methoxy-N-(thiophen-3-ylmethyl)aniline;hydrochloride
InChI:
InChI=1S/C12H12ClNOS.ClH/c1-15-12-6-10(2-3-11(12)13)14-7-9-4-5-16-8-9;/h2-6,8,14H,7H2,1H3;1H
InChI Key:
VKKRRAIFXVNNAW-UHFFFAOYSA-N
SMILES:
COc1cc(NCc2cscc2)ccc1Cl.Cl
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.009g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
290.202g/mol
Monoisotopic Mass:
289.009g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties