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benzyl N-(5-bromo-6-methylpyridin-2-yl)carbamate

benzyl N-(5-bromo-6-methylpyridin-2-yl)carbamate

CAS: 175393-02-9

Formula: C14H13BrN2O2

SMILES: CC1=C(Br)C=CC(NC(=O)OCC2=CC=CC=C2)=N1

IUPAC: benzyl N-(5-bromo-6-methylpyridin-2-yl)carbamate

InChI: InChI=1S/C14H13BrN2O2/c1-10-12(15)7-8-13(16-10)17-14(18)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17,18)

Composition: C (52.36%), H (4.08%), Br (24.88%), N (8.72%), O (9.96%)

Molar Mass: 321.174

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 320.016041
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MZGWZEXVWNBNSM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.53
Topological Polar Surface Area 51.22
Polarizability 29.16
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 175393-02-9 $1,760.00-$3,520.00$1,760.00$2,640.00$3,520.00
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