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102561-43-3,MFCD00019911
Catalog No.:AA0007MN
102561-43-3 | Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)-
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250mg
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$188.00   $132.00
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1g
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Technical Information
Catalog Number:
AA0007MN
Chemical Name:
Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)-
CAS Number:
102561-43-3
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00019911
IUPAC Name:
2-isocyanato-1-methyl-3-propan-2-ylbenzene
InChI:
InChI=1S/C11H13NO/c1-8(2)10-6-4-5-9(3)11(10)12-7-13/h4-6,8H,1-3H3
InChI Key:
PGHDAVZHFWFZJK-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)cccc1C(C)C
Properties
Computed Properties
 
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

Synonyms
 
2-Isopropyl-6-methylphenyl isocyanate 
102561-43-3 
PGHDAVZHFWFZJK-UHFFFAOYSA-N 
ZINC2566254 
MFCD00019911 
AKOS017343899 
MCULE-4666217579 
RTR-000625 
2-methyl-6-(methylethyl)benzenisocyanate 
TR-000625 
2-isocyanato-1-methyl-3-propan-2-ylbenzene 
2-Isopropyl-6-methylphenyl isocyanate, 97% 
2-Isopropyl-6-methylphenylisocyanate 
FT-0612712 
ST50825077 
2-isocyanato-1-methyl-3-(propan-2-yl)benzene 
2-ISOCYANATO-1-ISOPROPYL-3-METHYLBENZENE 
Benzene,2-isocyanato-1-methyl-3-(1-methylethyl)- 
J-000720 
ZINC02566254 
CID4524691 
Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)- (9CI) 
Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)- 
ACMC-1BRAQ 
AC1NDA5D 
AC1Q1OUK 
SCHEMBL1149066 
CTK4A1194 
DTXSID20403933 
Literature
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