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Home > Nitro Compounds > 869707-78-8
869707-78-8 | Phenol, 2-[[(6-nitro-2-benzothiazolyl)imino]methyl]-
CAS No: 869707-78-8 Catalog No: AG004HL7 MDL No:
Product Description
Catalog Number:
AG004HL7
Chemical Name:
Phenol, 2-[[(6-nitro-2-benzothiazolyl)imino]methyl]-
CAS Number:
869707-78-8
Molecular Formula:
C14H9N3O3S
Molecular Weight:
299.3046
IUPAC Name:
2-[(6-nitro-1,3-benzothiazol-2-yl)iminomethyl]phenol
InChI:
InChI=1S/C14H9N3O3S/c18-12-4-2-1-3-9(12)8-15-14-16-11-6-5-10(17(19)20)7-13(11)21-14/h1-8,18H
InChI Key:
MXGCFKAPARWXTF-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.304g/mol
Monoisotopic Mass:
299.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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