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918435-35-5 | Benzoxazole, 2-(3-isocyanatophenyl)-
CAS No: 918435-35-5 Catalog No: AG006RE6 MDL No:
Product Description
Catalog Number:
AG006RE6
Chemical Name:
Benzoxazole, 2-(3-isocyanatophenyl)-
CAS Number:
918435-35-5
Molecular Formula:
C14H8N2O2
Molecular Weight:
236.2255
IUPAC Name:
2-(3-isocyanatophenyl)-1,3-benzoxazole
InChI:
InChI=1S/C14H8N2O2/c17-9-15-11-5-3-4-10(8-11)14-16-12-6-1-2-7-13(12)18-14/h1-8H
InChI Key:
FHALCAFJRSBEBP-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)c1nc2c(o1)cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.23g/mol
Monoisotopic Mass:
236.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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