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cyclohexylmethyl((2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl)phosphinic acid chloride

cyclohexylmethyl((2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl)phosphinic acid chloride

CAS: 149184-21-4

Formula: C18H28Cl3NO3P

SMILES: [Cl-].C[C@H](NC[C@H](O)CP(O)(=O)CC1CCCCC1)C1=CC=C(Cl)C(Cl)=C1

IUPAC: (cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid chloride

InChI: InChI=1S/C18H28Cl2NO3P.ClH/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14;/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24);1H/p-1/t13-,16-;/m0./s1

Composition: C (48.72%), H (6.36%), Cl (23.97%), N (3.16%), O (10.82%), P (6.98%)

Molar Mass: 443.75

Atom Count: 54

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 442.0877874
Formal Charge -1
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey ZQCFHOVIXCJPLE-LINSIKMZSA-M
Lipinski's Rule of Five 1
Molar Refractivity 103.59
Topological Polar Surface Area 69.56
Polarizability 41.37
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 149184-21-4 $374.00-$2,750.00$374.00$800.00$2,750.00
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