Home Other Building Blocks 59741-04-7
59741-04-7,MFCD00013869
Catalog No.:AA003HGJ
59741-04-7 | 2-METHOXY-5-METHYLPHENYL ISOCYANATE
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(GC)
in stock  
$39.00
- +
5g
98%(GC)
in stock  
$82.00
- +
25g
98%(GC)
in stock  
$280.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HGJ
Chemical Name:
2-METHOXY-5-METHYLPHENYL ISOCYANATE
CAS Number:
59741-04-7
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00013869
IUPAC Name:
2-isocyanato-1-methoxy-4-methylbenzene
InChI:
InChI=1S/C9H9NO2/c1-7-3-4-9(12-2)8(5-7)10-6-11/h3-5H,1-2H3
InChI Key:
IDOHLSFNBKNRRJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(C)ccc1OC
Properties
Computed Properties
 
Complexity:
187  
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:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
59741-04-7 
2-Methoxy-5-methylphenyl isocyanate 
AC1N59LO 
AC1Q49JM 
6-Methoxy-m-tolyl isocyanate 
SCHEMBL1019299 
CTK5B0418 
DTXSID30399838 
2-methoxy-5-methylbenzenisocyanate 
ALBB-003037 
ZINC2560442 
2-Methoxy-5-methylpheny lisocyanate 
2-isocyanato-1-methoxy-4-methylbenzene 
6425AE 
BBL104390 
GEO-03208 
STK502557 
AKOS005171089 
MCULE-3440672197 
2-Isocyanato-1-methyloxy-4-methylbenzene 
AS-10416 
DB-053452 
TR-053067 
2-isocyanato-1-methoxy-4-methyl-benzene 
FT-0612804 
R1267 
ST50824844 
A832444 
I14-49056 
C9H9NO2 
ZINC02560442 
CID4141520 
Benzene, 2-isocyanato-1-methoxy-4-methyl- (9CI) 
IDOHLSFNBKNRRJ-UHFFFAOYSA-N 
2-methoxy-5-methylphenylisocyanate 
MFCD00013869 
2-Methoxy-5-methylphenyl isocyanate, 98% 
Benzene, 2-isocyanato-1-methoxy-4-methyl- 
ACMC-20anrw 
Literature
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