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4-chloro-2-nitrophenoxyacetic acid

4-chloro-2-nitrophenoxyacetic acid

CAS: 21086-49-7

Formula: C8H6ClNO5

SMILES: OC(=O)COC1=C(C=C(Cl)C=C1)[N+]([O-])=O

IUPAC: 2-(4-chloro-2-nitrophenoxy)acetic acid

InChI: InChI=1S/C8H6ClNO5/c9-5-1-2-7(15-4-8(11)12)6(3-5)10(13)14/h1-3H,4H2,(H,11,12)

Composition: C (41.49%), H (2.61%), Cl (15.31%), N (6.05%), O (34.54%)

Molar Mass: 231.59

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.99345
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JYCUJLCLZHPKMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.73
Topological Polar Surface Area 89.67
Polarizability 19.22
Ring Count 1
Rotatable Bond Count 4

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