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124808-79-3 | Benzo[b]thiophene, 2-isocyanato-
CAS No: 124808-79-3 Catalog No: AG000MRM MDL No:MFCD14660418
Product Description
Catalog Number:
AG000MRM
Chemical Name:
Benzo[b]thiophene, 2-isocyanato-
CAS Number:
124808-79-3
Molecular Formula:
C9H5NOS
Molecular Weight:
175.2071
MDL Number:
MFCD14660418
IUPAC Name:
2-isocyanato-1-benzothiophene
InChI:
InChI=1S/C9H5NOS/c11-6-10-9-5-7-3-1-2-4-8(7)12-9/h1-5H
InChI Key:
OLFUDAIDLACCQJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc2c(s1)cccc2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.205g/mol
Monoisotopic Mass:
175.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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