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24905-87-1 | Ethanol, 2-[(4-amino-3-nitrophenyl)amino]-
CAS No: 24905-87-1 Catalog No: AG002PTR MDL No:MFCD00239473
Product Description
Catalog Number:
AG002PTR
Chemical Name:
Ethanol, 2-[(4-amino-3-nitrophenyl)amino]-
CAS Number:
24905-87-1
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD00239473
IUPAC Name:
2-(4-amino-3-nitroanilino)ethanol
InChI:
InChI=1S/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2
InChI Key:
DAGCJJZWDAVKRE-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(c(c1)[N+](=O)[O-])N
EC Number:
246-521-9
UNII:
5WRI22G12X
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Final report on the safety assessment of HC Red No. 7. | International journal of toxicology 20080101 |
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