Home Other Building Blocks 93489-08-8
93489-08-8,MFCD03427182
Catalog No.:AA003HH4
93489-08-8 | 2-Methoxybenzyl isocyanate
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Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$144.00   $101.00
- +
500mg
95.0%
3 weeks  
$202.00   $141.00
- +
1g
95.0%
3 weeks  
$278.00   $195.00
- +
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Technical Information
Catalog Number:
AA003HH4
Chemical Name:
2-Methoxybenzyl isocyanate
CAS Number:
93489-08-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD03427182
IUPAC Name:
1-(isocyanatomethyl)-2-methoxybenzene
InChI:
InChI=1S/C9H9NO2/c1-12-9-5-3-2-4-8(9)6-10-7-11/h2-5H,6H2,1H3
InChI Key:
DTKFYMTVYBPJRC-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccccc1OC
Properties
Computed Properties
 
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
2-Methoxybenzyl isocyanate 
93489-08-8 
CTK5H2585 
DTXSID80404305 
2-Methoxybenzyl isocyanate, 97% 
DTKFYMTVYBPJRC-UHFFFAOYSA-N 
ZINC5019713 
1-isocyanatomethyl-2-methoxy-benzene 
AKOS010078370 
Benzene,1-(isocyanatomethyl)-2-methoxy- 
TC-170476 
FT-0653721 
1-(isocyanatomethyl)-2-methoxybenzene 
489M088 
A844613 
I01-3891 
CID4564397 
2-Methoxybenzylisocyanate 
Benzene, 1-(isocyanatomethyl)-2-methoxy- 
ACMC-20anrp 
1-(isocyanatomethyl)-2-methoxy-benzene 
AC1NCTDM 
Ortho-methoxybenzyl isocyanate 
SCHEMBL1205405 
Literature
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