(2-bromo-5-nitrophenyl)acetic acid

(2-bromo-5-nitrophenyl)acetic acid

CAS: 52427-03-9

Formula: C8H6BrNO4

SMILES: OC(=O)CC1=CC(=CC=C1Br)[N+]([O-])=O

IUPAC: 2-(2-bromo-5-nitrophenyl)acetic acid

InChI: InChI=1S/C8H6BrNO4/c9-7-2-1-6(10(13)14)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)

Composition: C (36.95%), H (2.33%), Br (30.73%), N (5.39%), O (24.61%)

Molar Mass: 260.043

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.948021
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SEQYLSDGDQXASY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.31
Topological Polar Surface Area	80.44
Polarizability	19.54
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.93%	<7 Days	52427-03-9		$142.12-$2,631.09$142.12$236.56$511.45$1,545.56$2,631.09