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Home > Nitro Compounds > 87973-69-1
87973-69-1 | 4H-1,3-Benzodioxin-6-ol, 2,4-dimethyl-7-[(4-nitrophenyl)azo]-
CAS No: 87973-69-1 Catalog No: AG004PB0 MDL No:
Product Description
Catalog Number:
AG004PB0
Chemical Name:
4H-1,3-Benzodioxin-6-ol, 2,4-dimethyl-7-[(4-nitrophenyl)azo]-
CAS Number:
87973-69-1
Molecular Formula:
C16H15N3O5
Molecular Weight:
329.3074
IUPAC Name:
2,4-dimethyl-7-[(4-nitrophenyl)diazenyl]-4H-1,3-benzodioxin-6-ol
InChI:
InChI=1S/C16H15N3O5/c1-9-13-7-15(20)14(8-16(13)24-10(2)23-9)18-17-11-3-5-12(6-4-11)19(21)22/h3-10,20H,1-2H3
InChI Key:
PIQGAHFRQGJTNP-UHFFFAOYSA-N
SMILES:
CC1OC(C)c2c(O1)cc(c(c2)O)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.312g/mol
Monoisotopic Mass:
329.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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