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70289-16-6 | Ethanamine,2-(4-chloro-3-methylphenoxy)-N-methyl-
CAS No: 70289-16-6 Catalog No: AG005KDE MDL No:
Product Description
Catalog Number:
AG005KDE
Chemical Name:
Ethanamine,2-(4-chloro-3-methylphenoxy)-N-methyl-
CAS Number:
70289-16-6
Molecular Formula:
C10H14ClNO
Molecular Weight:
199.6773
IUPAC Name:
1-(4-chloro-3-methylphenoxy)-N,N-dimethylmethanamine
InChI:
InChI=1S/C10H14ClNO/c1-8-6-9(4-5-10(8)11)13-7-12(2)3/h4-6H,7H2,1-3H3
InChI Key:
VIPJJGWHVGNRNZ-UHFFFAOYSA-N
SMILES:
CN(COc1ccc(c(c1)C)Cl)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.678g/mol
Monoisotopic Mass:
199.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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