(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid

(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid

Formula: C9H6ClNO4

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

IUPAC: (2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)/b4-2+

Composition: C (47.50%), H (2.66%), Cl (15.58%), N (6.15%), O (28.12%)

Molar Mass: 227.6

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.9985354
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QBDALTIMHOITIU-DUXPYHPUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.19
Topological Polar Surface Area	80.44
Polarizability	20.04
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<7 Days	C9H6ClNO4		$11.39-$492.66$11.39$33.12$131.45$492.66

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
98%	<6 Days	C9H6ClNO4		$23.00-$601.45$23.00$58.65$196.65$601.45

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H6ClNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00