Home Other Building Blocks 1-Isocyanato-2,4-dimethylbenzene

1-Isocyanato-2,4-dimethylbenzene

CAS No.:
51163-29-2
Catalog Number:
AG003FUK
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003FUK
Chemical Name:
1-Isocyanato-2,4-dimethylbenzene
CAS Number:
51163-29-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013853
IUPAC Name:
1-isocyanato-2,4-dimethylbenzene
InChI:
InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3
InChI Key:
QUOBVYPFBJUOAJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C)C
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