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1-(3-nitrophenyl)ethanamine hydrochloride

1-(3-nitrophenyl)ethanamine hydrochloride

CAS: 92259-19-3

Formula: C8H11ClN2O2

SMILES: Cl[H].CC(N)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 1-(3-nitrophenyl)ethan-1-amine hydrochloride

InChI: InChI=1/C8H10N2O2.ClH/c1-6(9)7-3-2-4-8(5-7)10(11)12;/h2-6H,9H2,1H3;1H

Composition: C (47.42%), H (5.47%), Cl (17.49%), N (13.82%), O (15.79%)

Molar Mass: 202.64

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 202.0509053
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IKBMZMKEBCIDPD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.27
Topological Polar Surface Area 69.16
Polarizability 17.39
Ring Count 1
Rotatable Bond Count 2

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