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Home Other Building Blocks 1-Isocyanato-2-methoxybenzene

1-Isocyanato-2-methoxybenzene

CAS No.:
700-87-8
Catalog Number:
AG003HKD
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$43
- +
5g
98%(GC)
In Stock USA
United States
$73
- +
25g
98%(GC)
In Stock USA
United States
$196
- +
100g
98%(GC)
In Stock USA
United States
$637
- +
Product Description
Catalog Number:
AG003HKD
Chemical Name:
1-Isocyanato-2-methoxybenzene
CAS Number:
700-87-8
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00002004
IUPAC Name:
1-isocyanato-2-methoxybenzene
InChI:
InChI=1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3
InChI Key:
SUVCZZADQDCIEQ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1OC
EC Number:
211-853-5
Properties
Complexity:
164  
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:
2.7  
Literature
Title Journal
2-Methoxyphenyl isocyanate and 2-Methoxyphenyl isothiocyanate: conformers, vibration structure and multiplet Fermi resonance. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601
Iridium-catalyzed [2+2+2] cycloaddition of α,ω-diynes with isocyanates. The Journal of organic chemistry 20120120
Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1). PloS one 20120101
Properties