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Home > Nitro Compounds > 87973-70-4
87973-70-4 | 4H-1,3-Benzodioxin-6-ol, 2,4-dimethyl-7-[(2-nitrophenyl)azo]-
CAS No: 87973-70-4 Catalog No: AG004PAZ MDL No:
Product Description
Catalog Number:
AG004PAZ
Chemical Name:
4H-1,3-Benzodioxin-6-ol, 2,4-dimethyl-7-[(2-nitrophenyl)azo]-
CAS Number:
87973-70-4
Molecular Formula:
C16H15N3O5
Molecular Weight:
329.3074
IUPAC Name:
2,4-dimethyl-7-[(2-nitrophenyl)diazenyl]-4H-1,3-benzodioxin-6-ol
InChI:
InChI=1S/C16H15N3O5/c1-9-11-7-15(20)13(8-16(11)24-10(2)23-9)18-17-12-5-3-4-6-14(12)19(21)22/h3-10,20H,1-2H3
InChI Key:
QMFOJGYNZYYKEH-UHFFFAOYSA-N
SMILES:
CC1OC(C)c2c(O1)cc(c(c2)O)N=Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
483
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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