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
