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Home > Nitro Compounds > 836612-73-8
836612-73-8 | 1-Naphthalenol, 2-[(5-nitro-2,1-benzisothiazol-3-yl)azo]-
CAS No: 836612-73-8 Catalog No: AG004TL1 MDL No:
Product Description
Catalog Number:
AG004TL1
Chemical Name:
1-Naphthalenol, 2-[(5-nitro-2,1-benzisothiazol-3-yl)azo]-
CAS Number:
836612-73-8
Molecular Formula:
C17H10N4O3S
Molecular Weight:
350.3513
IUPAC Name:
2-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]naphthalen-1-ol
InChI:
InChI=1S/C17H10N4O3S/c22-16-12-4-2-1-3-10(12)5-7-15(16)18-19-17-13-9-11(21(23)24)6-8-14(13)20-25-17/h1-9,22H
InChI Key:
PMMZJNWYKCEPRT-UHFFFAOYSA-N
SMILES:
Oc1c(N=Nc2snc3c2cc(cc3)[N+](=O)[O-])ccc2c1cccc2
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.047g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.352g/mol
Monoisotopic Mass:
350.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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