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tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate

tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate

CAS: 849178-85-4

Formula: C13H18BrNO3

SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C1=CC=C(Br)C=C1

IUPAC: tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate

InChI: InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(17)15-11(8-16)9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m0/s1

Composition: C (49.38%), H (5.74%), Br (25.27%), N (4.43%), O (15.18%)

Molar Mass: 316.195

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 315.047006
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QFKIGDYLKNXDFN-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.99
Topological Polar Surface Area 58.56
Polarizability 28.57
Ring Count 1
Rotatable Bond Count 5

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 849178-85-4 $92.16-$221.76$92.16$147.84$221.76
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 849178-85-4 $74.40-$929.36$74.40$113.49$292.55$929.36
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