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14465-32-8 | Benzenamine, 4-chloro-N-(1,1-dimethyl-2-propyn-1-yl)-
CAS No: 14465-32-8 Catalog No: AG001JX6 MDL No:
Product Description
Catalog Number:
AG001JX6
Chemical Name:
Benzenamine, 4-chloro-N-(1,1-dimethyl-2-propyn-1-yl)-
CAS Number:
14465-32-8
Molecular Formula:
C11H12ClN
Molecular Weight:
193.6727
IUPAC Name:
4-chloro-N-(2-methylbut-3-yn-2-yl)aniline
InChI:
InChI=1S/C11H12ClN/c1-4-11(2,3)13-10-7-5-9(12)6-8-10/h1,5-8,13H,2-3H3
InChI Key:
KOWFOHDYWIFTTG-UHFFFAOYSA-N
SMILES:
C#CC(Nc1ccc(cc1)Cl)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.674g/mol
Monoisotopic Mass:
193.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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