Home Other Building Blocks 2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE

2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE

CAS No.:
13680-30-3
Catalog Number:
AG003HXN
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
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Product Description
Catalog Number:
AG003HXN
Chemical Name:
2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE
CAS Number:
13680-30-3
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD00037033
IUPAC Name:
1-tert-butyl-2-isocyanato-3-methylbenzene
InChI:
InChI=1S/C12H15NO/c1-9-6-5-7-10(12(2,3)4)11(9)13-8-14/h5-7H,1-4H3
InChI Key:
VCHAHDOWZAYVEM-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)cccc1C(C)(C)C
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties