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2094-99-7

2094-99-7 | 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

CAS No: 2094-99-7 Catalog No: AG0038VX MDL No:MFCD00080490

Product Description

Catalog Number:
AG0038VX
Chemical Name:
1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
CAS Number:
2094-99-7
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD00080490
IUPAC Name:
1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene
InChI:
InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3
InChI Key:
ZVEMLYIXBCTVOF-UHFFFAOYSA-N
SMILES:
O=C=NC(c1cccc(c1)C(=C)C)(C)C
UNII:
RY29G3V80M

Properties

Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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