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2-amino-3-(4-chloro-2-fluorophenyl)propanoic acid

2-amino-3-(4-chloro-2-fluorophenyl)propanoic acid

Formula: C9H9ClFNO2

SMILES: NC(CC1=C(F)C=C(Cl)C=C1)C(O)=O

IUPAC: 2-amino-3-(4-chloro-2-fluorophenyl)propanoic acid

InChI: InChI=1/C9H9ClFNO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)

Composition: C (49.67%), H (4.17%), Cl (16.29%), F (8.73%), N (6.44%), O (14.70%)

Molar Mass: 217.62

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 217.0305844
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZPMGQOHZMMWUAT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.14
Topological Polar Surface Area 63.32
Polarizability 19.55
Ring Count 1
Rotatable Bond Count 3

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98% <10 Days C9H9ClFNO2 Quote Only
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C9H9ClFNO2 Quote Only
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