Home Halogens Benzenemethanamine, 4-chloro-3-methoxy-, hydrochloride (1:1)

Benzenemethanamine, 4-chloro-3-methoxy-, hydrochloride (1:1)

CAS No.:
169045-11-8
Catalog Number:
AG001YG3
Molecular Formula:
C8H11Cl2NO
Molecular Weight:
208.0850
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Product Description
Catalog Number:
AG001YG3
Chemical Name:
Benzenemethanamine, 4-chloro-3-methoxy-, hydrochloride (1:1)
CAS Number:
169045-11-8
Molecular Formula:
C8H11Cl2NO
Molecular Weight:
208.0850
MDL Number:
MFCD27923774
IUPAC Name:
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
InChI:
InChI=1S/C8H10ClNO.ClH/c1-11-8-4-6(5-10)2-3-7(8)9;/h2-4H,5,10H2,1H3;1H
InChI Key:
KZEPKPPRWDMTAC-UHFFFAOYSA-N
SMILES:
COc1cc(CN)ccc1Cl.Cl
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.082g/mol
Monoisotopic Mass:
207.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties