Home Other Building Blocks 1-ETHYNYL-4-ISOCYANATOBENZENE

1-ETHYNYL-4-ISOCYANATOBENZENE

CAS No.:
814264-50-1
Catalog Number:
AG01EMRV
Molecular Formula:
C9H5NO
Molecular Weight:
143.1421
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EMRV
Chemical Name:
1-ETHYNYL-4-ISOCYANATOBENZENE
CAS Number:
814264-50-1
Molecular Formula:
C9H5NO
Molecular Weight:
143.1421
MDL Number:
MFCD23163079
IUPAC Name:
1-ethynyl-4-isocyanatobenzene
InChI:
InChI=1S/C9H5NO/c1-2-8-3-5-9(6-4-8)10-7-11/h1,3-6H
InChI Key:
KGTKIKXAWGTZTR-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)C#C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.037g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.145g/mol
Monoisotopic Mass:
143.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties