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852180-41-7 | Thiazole,4-(3-isocyanatophenyl)-2-methyl-
CAS No: 852180-41-7 Catalog No: AG008FV5 MDL No:MFCD07368504
Product Description
Catalog Number:
AG008FV5
Chemical Name:
Thiazole,4-(3-isocyanatophenyl)-2-methyl-
CAS Number:
852180-41-7
Molecular Formula:
C11H8N2OS
Molecular Weight:
216.2590
MDL Number:
MFCD07368504
IUPAC Name:
4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole
InChI:
InChI=1S/C11H8N2OS/c1-8-13-11(6-15-8)9-3-2-4-10(5-9)12-7-14/h2-6H,1H3
InChI Key:
FGXXZVGMPBZEBB-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)c1csc(n1)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.258g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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