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5-chloro-2-methoxy-3-nitrobenzoic acid

5-chloro-2-methoxy-3-nitrobenzoic acid

CAS: 89894-14-4

Formula: C8H6ClNO5

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

IUPAC: 5-chloro-2-methoxy-3-nitrobenzoic acid

InChI: InChI=1S/C8H6ClNO5/c1-15-7-5(8(11)12)2-4(9)3-6(7)10(13)14/h2-3H,1H3,(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 BNPVOSZKWOIXHK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.9
Topological Polar Surface Area 89.67
Polarizability 19.2
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
95% <9 Days 89894-14-4 $201.25-$874.00$201.25$287.50$874.00
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