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893725-10-5 | 3-CHLORO-4,5-DIMETHOXYBENZENEMETHANAMINE
CAS No: 893725-10-5 Catalog No: AG003XBU MDL No:MFCD07364064
Product Description
Catalog Number:
AG003XBU
Chemical Name:
3-CHLORO-4,5-DIMETHOXYBENZENEMETHANAMINE
CAS Number:
893725-10-5
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD07364064
IUPAC Name:
(3-chloro-4,5-dimethoxyphenyl)methanamine
InChI:
InChI=1S/C9H12ClNO2/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-4H,5,11H2,1-2H3
InChI Key:
IKJBHLQFXPEZOC-UHFFFAOYSA-N
SMILES:
COc1cc(CN)cc(c1OC)Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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