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100418-33-5 | Ethanol, 2-[(4-methyl-2-nitrophenyl)amino]-
CAS No: 100418-33-5 Catalog No: AG0001Y8 MDL No:MFCD00274758
Product Description
Catalog Number:
AG0001Y8
Chemical Name:
Ethanol, 2-[(4-methyl-2-nitrophenyl)amino]-
CAS Number:
100418-33-5
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD00274758
IUPAC Name:
2-(4-methyl-2-nitroanilino)ethanol
InChI:
InChI=1S/C9H12N2O3/c1-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3
InChI Key:
SCZQUWZLEIYDBD-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(cc1[N+](=O)[O-])C
EC Number:
408-090-7
UNII:
KL22OLP94K
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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