Home Other Building Blocks 3-Methylbenzyl isocyanate

3-Methylbenzyl isocyanate

CAS No.:
61924-25-2
Catalog Number:
AG003JQV
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$268
- +
Product Description
Catalog Number:
AG003JQV
Chemical Name:
3-Methylbenzyl isocyanate
CAS Number:
61924-25-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00673059
IUPAC Name:
1-(isocyanatomethyl)-3-methylbenzene
InChI:
InChI=1S/C9H9NO/c1-8-3-2-4-9(5-8)6-10-7-11/h2-5H,6H2,1H3
InChI Key:
JCUQBSLBFAVVOS-UHFFFAOYSA-N
SMILES:
O=C=NCc1cccc(c1)C
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties