Home Halogens Benzene, 2-chloro-4-ethynyl-1-methoxy-

Benzene, 2-chloro-4-ethynyl-1-methoxy-

CAS No.:
120136-29-0
Catalog Number:
AG000QDJ
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
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Product Description
Catalog Number:
AG000QDJ
Chemical Name:
Benzene, 2-chloro-4-ethynyl-1-methoxy-
CAS Number:
120136-29-0
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD26636898
IUPAC Name:
2-chloro-4-ethynyl-1-methoxybenzene
InChI:
InChI=1S/C9H7ClO/c1-3-7-4-5-9(11-2)8(10)6-7/h1,4-6H,2H3
InChI Key:
CQJNAMMLEBMXFO-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)Cl)OC
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.604g/mol
Monoisotopic Mass:
166.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties