1-(5-bromo-2-nitrophenyl)methanamine

1-(5-bromo-2-nitrophenyl)methanamine

CAS: 1261439-31-9

Formula: C7H7BrN2O2

SMILES: NCC1=C(C=CC(Br)=C1)[N+]([O-])=O

IUPAC: 1-(5-bromo-2-nitrophenyl)methanamine

InChI: InChI=1S/C7H7BrN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H,4,9H2

Composition: C (36.39%), H (3.05%), Br (34.58%), N (12.12%), O (13.85%)

Molar Mass: 231.049

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.96909
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MFTURLVFLSJTPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.47
Topological Polar Surface Area	69.16
Polarizability	18.5
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1261439-31-9		$1,760.00-$4,400.00$1,760.00$2,640.00$4,400.00