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141973-34-4 | Ethanol, 2-[[3-(methylamino)-4-nitrophenyl]amino]-
CAS No: 141973-34-4 Catalog No: AG001HHA MDL No:
Product Description
Catalog Number:
AG001HHA
Chemical Name:
Ethanol, 2-[[3-(methylamino)-4-nitrophenyl]amino]-
CAS Number:
141973-34-4
Molecular Formula:
C9H13N3O3
Molecular Weight:
211.2178
IUPAC Name:
2-[3-(methylamino)-4-nitroanilino]ethanol
InChI:
InChI=1S/C9H13N3O3/c1-10-8-6-7(11-4-5-13)2-3-9(8)12(14)15/h2-3,6,10-11,13H,4-5H2,1H3
InChI Key:
NIDVIDJVVBWKNX-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(c(c1)NC)[N+](=O)[O-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.221g/mol
Monoisotopic Mass:
211.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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