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sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]-2-oxoacetate

sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]-2-oxoacetate

CAS: 1391052-54-2

Formula: C15H9BrNNaO4

SMILES: [Na+].NC1=C(C=CC=C1C(=O)C([O-])=O)C(=O)C1=CC=C(Br)C=C1

IUPAC: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]-2-oxoacetate

InChI: InChI=1S/C15H10BrNO4.Na/c16-9-6-4-8(5-7-9)13(18)10-2-1-3-11(12(10)17)14(19)15(20)21;/h1-7H,17H2,(H,20,21);/q;+1/p-1

Composition: C (48.68%), H (2.45%), Br (21.59%), N (3.78%), Na (6.21%), O (17.29%)

Molar Mass: 370.134

Atom Count: 31

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 368.961265
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JBHOQRLXZXDGOO-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 91.99
Topological Polar Surface Area 100.29
Polarizability 30.14
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1391052-54-2 $138.72-$1,108.74$138.72$1,108.74
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