Home Other Building Blocks 2,5-Dimethylphenylisocyanate

2,5-Dimethylphenylisocyanate

CAS No.:
40397-98-6
Catalog Number:
AG003G03
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$40
- +
5g
95%
In Stock USA
United States
$82
- +
25g
95%
In Stock USA
United States
$311
- +
Product Description
Catalog Number:
AG003G03
Chemical Name:
2,5-Dimethylphenylisocyanate
CAS Number:
40397-98-6
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013854
IUPAC Name:
2-isocyanato-1,4-dimethylbenzene
InChI:
InChI=1S/C9H9NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3
InChI Key:
SOXVXJQIQVOCAY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N=C=O)C
NSC Number:
152098
Properties
Complexity:
172  
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:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties