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methyl 4'-amino-[1,1'-biphenyl]-4-carboxylate

methyl 4'-amino-[1,1'-biphenyl]-4-carboxylate

CAS: 5730-76-7

Formula: C14H13NO2

SMILES: COC(=O)C1=CC=C(C=C1)C1=CC=C(N)C=C1

IUPAC: methyl 4'-amino-[1,1'-biphenyl]-4-carboxylate

InChI: InChI=1S/C14H13NO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,15H2,1H3

Composition: C (73.99%), H (5.77%), N (6.16%), O (14.08%)

Molar Mass: 227.263

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 227.094628663
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KKPVZEJEFMQVSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.92
Topological Polar Surface Area 52.32
Polarizability 26.87
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 5730-76-7 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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