4-(2-chloro-4-nitrophenoxymethyl)benzoic acid

4-(2-chloro-4-nitrophenoxymethyl)benzoic acid

CAS: 30880-70-7

Formula: C14H10ClNO5

SMILES: OC(=O)C1=CC=C(COC2=CC=C(C=C2Cl)[N+]([O-])=O)C=C1

IUPAC: 4-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid

InChI: InChI=1S/C14H10ClNO5/c15-12-7-11(16(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H,17,18)

Composition: C (54.65%), H (3.28%), Cl (11.52%), N (4.55%), O (26.00%)

Molar Mass: 307.69

Atom Count: 31

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	307.0247501
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SCOUSMNITNGHLJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.52
Topological Polar Surface Area	89.67
Polarizability	28.63
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	30880-70-7		$65.00$65.00