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2'-methoxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid

2'-methoxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid

CAS: 376591-94-5

Formula: C14H11NO5

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

IUPAC: 2'-methoxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C14H11NO5/c1-20-13-11(6-3-7-12(13)15(18)19)9-4-2-5-10(8-9)14(16)17/h2-8H,1H3,(H,16,17)

Composition: C (61.54%), H (4.06%), N (5.13%), O (29.28%)

Molar Mass: 273.244

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 273.063722458
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey AAPGMCIBKOSNAL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.23
Topological Polar Surface Area 89.67
Polarizability 27.99
Ring Count 2
Rotatable Bond Count 4

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98% <5 Days 376591-94-5 $13.87-$181.58$13.87$41.61$181.58
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