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Home > Nitro Compounds > 247080-22-4
247080-22-4 | 6-Benzothiazolol, 2-(3-methyl-4-nitrophenyl)-
CAS No: 247080-22-4 Catalog No: AG002P4T MDL No:
Product Description
Catalog Number:
AG002P4T
Chemical Name:
6-Benzothiazolol, 2-(3-methyl-4-nitrophenyl)-
CAS Number:
247080-22-4
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
IUPAC Name:
2-(3-methyl-4-nitrophenyl)-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C14H10N2O3S/c1-8-6-9(2-5-12(8)16(18)19)14-15-11-4-3-10(17)7-13(11)20-14/h2-7,17H,1H3
InChI Key:
RUOCIAHNZILGLP-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)sc(n2)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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