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4-amino-3-(trifluoromethoxy)benzoic acid

4-amino-3-(trifluoromethoxy)benzoic acid

CAS: 175278-22-5

Formula: C8H6F3NO3

SMILES: NC1=C(OC(F)(F)F)C=C(C=C1)C(O)=O

IUPAC: 4-amino-3-(trifluoromethoxy)benzoic acid

InChI: InChI=1S/C8H6F3NO3/c9-8(10,11)15-6-3-4(7(13)14)1-2-5(6)12/h1-3H,12H2,(H,13,14)

Composition: C (43.45%), H (2.73%), F (25.77%), N (6.33%), O (21.70%)

Molar Mass: 221.135

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.029977546
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IXJFWBNYFTWBOR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.08
Topological Polar Surface Area 72.55
Polarizability 16.02
Ring Count 1
Rotatable Bond Count 3

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AA BLOCKS INC
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 175278-22-5 $6.90-$514.05$6.90$11.50$29.90$57.50$131.10$514.05
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Struchem co.,ltd
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98% <5 Days 175278-22-5 $700.00-$1,300.00$700.00$1,300.00
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