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3-acetamido-2-nitrophenyl 4-(dimethylamino)-3,5-difluorobenzoate

3-acetamido-2-nitrophenyl 4-(dimethylamino)-3,5-difluorobenzoate

CAS: 1864063-33-1

Formula: C17H15F2N3O5

SMILES: CN(C)C1=C(F)C=C(C=C1F)C(=O)OC1=C(C(NC(C)=O)=CC=C1)[N+]([O-])=O

IUPAC: 3-acetamido-2-nitrophenyl 4-(dimethylamino)-3,5-difluorobenzoate

InChI: InChI=1S/C17H15F2N3O5/c1-9(23)20-13-5-4-6-14(16(13)22(25)26)27-17(24)10-7-11(18)15(21(2)3)12(19)8-10/h4-8H,1-3H3,(H,20,23)

Composition: C (53.83%), H (3.99%), F (10.02%), N (11.08%), O (21.09%)

Molar Mass: 379.32

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 379.097976921
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey LDTFCGPEBKAICA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.91
Topological Polar Surface Area 101.78
Polarizability 33.66
Ring Count 2
Rotatable Bond Count 6

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Purity (%)
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Days
Packet Size
Shanghai AQ BioPharma Co., Ltd.
Purity LeadTime CAS PacketSize UnitPrice
95% <8 Days 1864063-33-1 $242.86-$3,497.14$242.86$728.57$1,165.71$2,185.71$3,497.14
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