Home Halogens 1-chloro-3-(3-chloroprop-1-yn-1-yl)benzene

1-chloro-3-(3-chloroprop-1-yn-1-yl)benzene

CAS No.:
41412-81-1
Catalog Number:
AG01A1L3
Molecular Formula:
C9H6Cl2
Molecular Weight:
185.0499
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Product Description
Catalog Number:
AG01A1L3
Chemical Name:
1-chloro-3-(3-chloroprop-1-yn-1-yl)benzene
CAS Number:
41412-81-1
Molecular Formula:
C9H6Cl2
Molecular Weight:
185.0499
MDL Number:
MFCD16111846
IUPAC Name:
1-chloro-3-(3-chloroprop-1-ynyl)benzene
InChI:
InChI=1S/C9H6Cl2/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,6H2
InChI Key:
CHSCILWMGQTFMZ-UHFFFAOYSA-N
SMILES:
ClCC#Cc1cccc(c1)Cl
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.985g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.047g/mol
Monoisotopic Mass:
183.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties