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Home Other Building Blocks 4-Methoxyphenyl isocyanate

4-Methoxyphenyl isocyanate

CAS No.:
5416-93-3
Catalog Number:
AG0037AG
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$57
- +
5g
98%
In Stock USA
United States
$87
- +
25g
98%
In Stock USA
United States
$229
- +
Product Description
Catalog Number:
AG0037AG
Chemical Name:
4-Methoxyphenyl isocyanate
CAS Number:
5416-93-3
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00002026
IUPAC Name:
1-isocyanato-4-methoxybenzene
InChI:
InChI=1S/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChI Key:
FMDGXCSMDZMDHZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=C=O
EC Number:
226-513-1
UNII:
C50O5096NC
NSC Number:
7321
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
1-(2-Hy-droxy-2-phenyl-eth-yl)-3-(4-meth-oxy-phen-yl)urea. Acta crystallographica. Section E, Structure reports online 20111001
N-(4-Meth-oxy-phen-yl)-N'-(5-nitro-1,3-thia-zol-2-yl)urea. Acta crystallographica. Section E, Structure reports online 20100901
3-(2,3,5,6,7,8-Hexahydro-1H-cyclo-penta-[b]quinolin-9-yl)-1,5-bis-(4-methoxy-phen-yl)biuret. Acta crystallographica. Section E, Structure reports online 20100301
Properties