1-(4-methyl-2-nitrophenyl)methanamine

1-(4-methyl-2-nitrophenyl)methanamine

CAS: 58579-57-0

Formula: C8H10N2O2

SMILES: CC1=CC(=C(CN)C=C1)[N+]([O-])=O

IUPAC: 1-(4-methyl-2-nitrophenyl)methanamine

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

Composition: C (57.82%), H (6.07%), N (16.86%), O (19.26%)

Molar Mass: 166.18

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.07422757
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DKBLEPIIRAPCSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.89
Topological Polar Surface Area	69.16
Polarizability	17.32
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
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