Home Halogens 1-Phenyl-3-chloro-1-propyne

1-Phenyl-3-chloro-1-propyne

CAS No.:
3355-31-5
Catalog Number:
AG003BS0
Molecular Formula:
C9H7Cl
Molecular Weight:
150.6049
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$45
- +
5g
95%
In Stock USA
United States
$150
- +
25g
95%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG003BS0
Chemical Name:
1-Phenyl-3-chloro-1-propyne
CAS Number:
3355-31-5
Molecular Formula:
C9H7Cl
Molecular Weight:
150.6049
MDL Number:
MFCD06411085
IUPAC Name:
3-chloroprop-1-ynylbenzene
InChI:
InChI=1S/C9H7Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2
InChI Key:
RMPSZEZJKSUNKR-UHFFFAOYSA-N
SMILES:
ClCC#Cc1ccccc1
NSC Number:
147127
Properties
Complexity:
143  
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:
2.7  
Literature
Title Journal
Unexpected reactivity of o-nitrosophenol with RCH(2)Br: C-H bond cleavage and annulation to benzoxazoles and benzoxazines (R = Alkynyl). Organic letters 20100219
Properties