HC red NO. 3

HC red NO. 3

CAS: 2871-01-4

Formula: C8H11N3O3

SMILES: NC1=CC(=C(NCCO)C=C1)[N+]([O-])=O

IUPAC: 2-[(4-amino-2-nitrophenyl)amino]ethan-1-ol

InChI: InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2

Composition: C (48.73%), H (5.62%), N (21.31%), O (24.34%)

Molar Mass: 197.194

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	HC red NO. 3; HC red no. 3; hc red no. 3
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.080041226
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	GZGZVOLBULPDFD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.57
Topological Polar Surface Area	101.42
Polarizability	18.85
Ring Count	1
Rotatable Bond Count	4

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