Home Halogens 1-(3-chloroprop-1-yn-1-yl)-3-methoxybenzene

1-(3-chloroprop-1-yn-1-yl)-3-methoxybenzene

CAS No.:
210885-07-7
Catalog Number:
AG01DW7X
Molecular Formula:
C10H9ClO
Molecular Weight:
180.6309
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Product Description
Catalog Number:
AG01DW7X
Chemical Name:
1-(3-chloroprop-1-yn-1-yl)-3-methoxybenzene
CAS Number:
210885-07-7
Molecular Formula:
C10H9ClO
Molecular Weight:
180.6309
MDL Number:
MFCD12155673
IUPAC Name:
1-(3-chloroprop-1-ynyl)-3-methoxybenzene
InChI:
InChI=1S/C10H9ClO/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8H,7H2,1H3
InChI Key:
HDJPUYBIGWKQHE-UHFFFAOYSA-N
SMILES:
ClCC#Cc1cccc(c1)OC
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.631g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties