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Home > Nitro Compounds > 67753-55-3
67753-55-3 | 1,3-Benzenediol, 4-(2-benzothiazolylazo)-2-nitro-
CAS No: 67753-55-3 Catalog No: AG005Q9I MDL No:
Product Description
Catalog Number:
AG005Q9I
Chemical Name:
1,3-Benzenediol, 4-(2-benzothiazolylazo)-2-nitro-
CAS Number:
67753-55-3
Molecular Formula:
C13H8N4O4S
Molecular Weight:
316.2920
IUPAC Name:
4-(1,3-benzothiazol-2-yldiazenyl)-2-nitrobenzene-1,3-diol
InChI:
InChI=1S/C13H8N4O4S/c18-9-6-5-8(12(19)11(9)17(20)21)15-16-13-14-7-3-1-2-4-10(7)22-13/h1-6,18-19H
InChI Key:
LBBBZXZIFWNXOB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)ccc(c1O)N=Nc1nc2c(s1)cccc2
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.291g/mol
Monoisotopic Mass:
316.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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