Home Other Building Blocks 4-N-Butoxyphenyl isocyanate

4-N-Butoxyphenyl isocyanate

CAS No.:
28439-86-3
Catalog Number:
AG003LTH
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$96
- +
5g
1 week
United States
$296
- +
10g
1 week
United States
$502
- +
Product Description
Catalog Number:
AG003LTH
Chemical Name:
4-N-Butoxyphenyl isocyanate
CAS Number:
28439-86-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD00037042
IUPAC Name:
1-butoxy-4-isocyanatobenzene
InChI:
InChI=1S/C11H13NO2/c1-2-3-8-14-11-6-4-10(5-7-11)12-9-13/h4-7H,2-3,8H2,1H3
InChI Key:
ASFIDVOMDQBCNP-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)N=C=O
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties