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74331-71-8 | Benzene,4-chloro-1-ethynyl-2-methyl-
CAS No: 74331-71-8 Catalog No: AG005CFH MDL No:
Product Description
Catalog Number:
AG005CFH
Chemical Name:
Benzene,4-chloro-1-ethynyl-2-methyl-
CAS Number:
74331-71-8
Molecular Formula:
C9H7Cl
Molecular Weight:
150.6049
IUPAC Name:
4-chloro-1-ethynyl-2-methylbenzene
InChI:
InChI=1S/C9H7Cl/c1-3-8-4-5-9(10)6-7(8)2/h1,4-6H,2H3
InChI Key:
BVHBBLNZXUAWLN-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1C)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.605g/mol
Monoisotopic Mass:
150.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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