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Home > Nitro Compounds > 83732-86-9
83732-86-9 | Benzoic acid,2-hydroxy-5-[(2-nitro-4-sulfophenyl)sulfonyl]-
CAS No: 83732-86-9 Catalog No: AG004XP3 MDL No:
Product Description
Catalog Number:
AG004XP3
Chemical Name:
Benzoic acid,2-hydroxy-5-[(2-nitro-4-sulfophenyl)sulfonyl]-
CAS Number:
83732-86-9
Molecular Formula:
C13H9NO10S2
Molecular Weight:
403.3413
IUPAC Name:
2-hydroxy-5-(2-nitro-4-sulfophenyl)sulfonylbenzoic acid
InChI:
InChI=1S/C13H9NO10S2/c15-11-3-1-7(5-9(11)13(16)17)25(20,21)12-4-2-8(26(22,23)24)6-10(12)14(18)19/h1-6,15H,(H,16,17)(H,22,23,24)
InChI Key:
MNXNPVSBUJFBLT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)S(=O)(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)O
EC Number:
280-638-6
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.967g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
403.332g/mol
Monoisotopic Mass:
402.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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