Home Halogens 1-(3-chloroprop-1-yn-1-yl)-4-methylbenzene

1-(3-chloroprop-1-yn-1-yl)-4-methylbenzene

CAS No.:
16017-25-7
Catalog Number:
AG01DVR9
Molecular Formula:
C10H9Cl
Molecular Weight:
164.6315
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Product Description
Catalog Number:
AG01DVR9
Chemical Name:
1-(3-chloroprop-1-yn-1-yl)-4-methylbenzene
CAS Number:
16017-25-7
Molecular Formula:
C10H9Cl
Molecular Weight:
164.6315
MDL Number:
MFCD12155677
IUPAC Name:
1-(3-chloroprop-1-ynyl)-4-methylbenzene
InChI:
InChI=1S/C10H9Cl/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7H,8H2,1H3
InChI Key:
DAXCEJVRIAJDRD-UHFFFAOYSA-N
SMILES:
ClCC#Cc1ccc(cc1)C
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.632g/mol
Monoisotopic Mass:
164.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties