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Home > Nitro Compounds > 74053-22-8
74053-22-8 | Benzoic acid, 2,2'-thiobis[5-nitro-
CAS No: 74053-22-8 Catalog No: AG0059S3 MDL No:MFCD00277974
Product Description
Catalog Number:
AG0059S3
Chemical Name:
Benzoic acid, 2,2'-thiobis[5-nitro-
CAS Number:
74053-22-8
Molecular Formula:
C14H8N2O8S
Molecular Weight:
364.2869
MDL Number:
MFCD00277974
IUPAC Name:
2-(2-carboxy-4-nitrophenyl)sulfanyl-5-nitrobenzoic acid
InChI:
InChI=1S/C14H8N2O8S/c17-13(18)9-5-7(15(21)22)1-3-11(9)25-12-4-2-8(16(23)24)6-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key:
TTYXCNKGBOJHKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Sc1ccc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.284g/mol
Monoisotopic Mass:
364g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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