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Home > Nitro Compounds > 313483-88-4
313483-88-4 | N-(4-Benzothiazol-2-yl-3-hydroxyphenyl)-3-nitro benzamide
CAS No: 313483-88-4 Catalog No: AG01F2C4 MDL No:MFCD01144253
Product Description
Catalog Number:
AG01F2C4
Chemical Name:
N-(4-Benzothiazol-2-yl-3-hydroxyphenyl)-3-nitro benzamide
CAS Number:
313483-88-4
Molecular Formula:
C20H13N3O4S
Molecular Weight:
391.3999
MDL Number:
MFCD01144253
IUPAC Name:
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-nitrobenzamide
InChI:
InChI=1S/C20H13N3O4S/c24-17-11-13(21-19(25)12-4-3-5-14(10-12)23(26)27)8-9-15(17)20-22-16-6-1-2-7-18(16)28-20/h1-11,24H,(H,21,25)
InChI Key:
JEAHEAIQPROIEB-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1c1nc2c(s1)cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.063g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.401g/mol
Monoisotopic Mass:
391.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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