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716316-15-3 | Benzene, [[(3-isocyanatocyclobutyl)oxy]methyl]-
CAS No: 716316-15-3 Catalog No: AG005GC4 MDL No:
Product Description
Catalog Number:
AG005GC4
Chemical Name:
Benzene, [[(3-isocyanatocyclobutyl)oxy]methyl]-
CAS Number:
716316-15-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
(3-isocyanatocyclobutyl)oxymethylbenzene
InChI:
InChI=1S/C12H13NO2/c14-9-13-11-6-12(7-11)15-8-10-4-2-1-3-5-10/h1-5,11-12H,6-8H2
InChI Key:
MXIFHGCDMBHPQO-UHFFFAOYSA-N
SMILES:
O=C=NC1CC(C1)OCc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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