Home Halogens 5-chloro-2-[(prop-2-yn-1-yl)amino]benzonitrile

5-chloro-2-[(prop-2-yn-1-yl)amino]benzonitrile

CAS No.:
1484470-70-3
Catalog Number:
AG01BXSY
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
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Product Description
Catalog Number:
AG01BXSY
Chemical Name:
5-chloro-2-[(prop-2-yn-1-yl)amino]benzonitrile
CAS Number:
1484470-70-3
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
MDL Number:
MFCD16778184
IUPAC Name:
5-chloro-2-(prop-2-ynylamino)benzonitrile
InChI:
InChI=1S/C10H7ClN2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h1,3-4,6,13H,5H2
InChI Key:
WSXKXXSSMVNRDS-UHFFFAOYSA-N
SMILES:
C#CCNc1ccc(cc1C#N)Cl
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.63g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties