sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2,5-Dimethoxyphenyl isocyanate

2,5-Dimethoxyphenyl isocyanate

CAS No.:
56309-62-7
Catalog Number:
AG003FZ2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$35
- +
5g
95%
In Stock USA
United States
$46
- +
Product Description
Catalog Number:
AG003FZ2
Chemical Name:
2,5-Dimethoxyphenyl isocyanate
CAS Number:
56309-62-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00002006
IUPAC Name:
2-isocyanato-1,4-dimethoxybenzene
InChI:
InChI=1S/C9H9NO3/c1-12-7-3-4-9(13-2)8(5-7)10-6-11/h3-5H,1-2H3
InChI Key:
XNQBFHMCUNRKPM-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(OC)ccc1OC
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
N-(2,5-Dimeth-oxy-phen-yl)-N'-(4-hy-droxy-pheneth-yl)urea. Acta crystallographica. Section E, Structure reports online 20101101
N-(3,4-Difluoro-phen-yl)-N'-(2,5-di-methoxy-phen-yl)urea. Acta crystallographica. Section E, Structure reports online 20100901
N-(2,5-Dimeth-oxy-phen-yl)-N'-[4-(2-hy-droxy-eth-yl)phen-yl]urea. Acta crystallographica. Section E, Structure reports online 20100901
1-(2,5-Dimeth-oxy-phen-yl)-3-(2-hy-droxy-eth-yl)urea. Acta crystallographica. Section E, Structure reports online 20100801
Properties