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102561-43-3 | Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)-
CAS No: 102561-43-3 Catalog No: AG0007PF MDL No:MFCD00019911
Product Description
Catalog Number:
AG0007PF
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
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
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