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3-chloro-3'-(cyclopropylcarbamoyl)-[1,1'-biphenyl]-4-carboxylic acid

3-chloro-3'-(cyclopropylcarbamoyl)-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1261984-00-2

Formula: C17H14ClNO3

SMILES: OC(=O)C1=CC=C(C=C1Cl)C1=CC(=CC=C1)C(=O)NC1CC1

IUPAC: 3-chloro-3'-(cyclopropylcarbamoyl)-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C17H14ClNO3/c18-15-9-11(4-7-14(15)17(21)22)10-2-1-3-12(8-10)16(20)19-13-5-6-13/h1-4,7-9,13H,5-6H2,(H,19,20)(H,21,22)

Composition: C (64.67%), H (4.47%), Cl (11.23%), N (4.44%), O (15.20%)

Molar Mass: 315.75

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.066221
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SYJLBFOGPLSIKI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.44
Topological Polar Surface Area 66.4
Polarizability 33.11
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1261984-00-2 $409.40-$1,061.45$409.40$1,061.45
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