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2'-chloro-4'-methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid

2'-chloro-4'-methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1261967-52-5

Formula: C14H10ClNO4

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

IUPAC: 2'-chloro-4'-methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C14H10ClNO4/c1-8-2-3-12(13(15)4-8)9-5-10(14(17)18)7-11(6-9)16(19)20/h2-7H,1H3,(H,17,18)

Composition: C (57.65%), H (3.46%), Cl (12.15%), N (4.80%), O (21.94%)

Molar Mass: 291.69

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 291.0298355
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RZGAQDGKJGIPPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.62
Topological Polar Surface Area 80.44
Polarizability 29.11
Ring Count 2
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1261967-52-5 $409.40-$1,713.50$409.40$1,061.45$1,713.50
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