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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,4-difluorobutanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,4-difluorobutanoic acid

CAS: 467442-21-3

Formula: C19H17F2NO4

SMILES: OC(=O)[C@H](CC(F)F)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4,4-difluorobutanoic acid

InChI: InChI=1S/C19H17F2NO4/c20-17(21)9-16(18(23)24)22-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17H,9-10H2,(H,22,25)(H,23,24)/t16-/m0/s1

Composition: C (63.16%), H (4.74%), F (10.52%), N (3.88%), O (17.71%)

Molar Mass: 361.345

Atom Count: 43

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 361.112564357
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AYIZPDXXYIFMQC-INIZCTEOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.84
Topological Polar Surface Area 75.63
Polarizability 35.29
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 467442-21-3 $243.80-$7,912.00$243.80$373.75$631.35$1,147.70$2,162.00$7,912.00
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