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2-amino-3,5-dibromo-6-fluorobenzoic acid

2-amino-3,5-dibromo-6-fluorobenzoic acid

CAS: 175135-10-1

Formula: C7H4Br2FNO2

SMILES: NC1=C(C(O)=O)C(F)=C(Br)C=C1Br

IUPAC: 2-amino-3,5-dibromo-6-fluorobenzoic acid

InChI: InChI=1S/C7H4Br2FNO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,11H2,(H,12,13)

Composition: C (26.87%), H (1.29%), Br (51.07%), F (6.07%), N (4.48%), O (10.23%)

Molar Mass: 312.92

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 310.859283
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DHWCACOUGDPIBD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.48
Topological Polar Surface Area 63.32
Polarizability 19.89
Ring Count 1
Rotatable Bond Count 1

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98% <7 Days 175135-10-1 $90.05-$1,073.30$90.05$96.26$140.76$328.10$1,073.30
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98% <6 Days 175135-10-1 $23.00-$736.00$23.00$27.60$59.80$195.50$736.00
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