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tert-butyl 5-bromopyridine-3-carboxylate

tert-butyl 5-bromopyridine-3-carboxylate

CAS: 263270-02-6

Formula: C10H12BrNO2

SMILES: CC(C)(C)OC(=O)C1=CN=CC(Br)=C1

IUPAC: tert-butyl 5-bromopyridine-3-carboxylate

InChI: InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)7-4-8(11)6-12-5-7/h4-6H,1-3H3

Composition: C (46.53%), H (4.69%), Br (30.96%), N (5.43%), O (12.40%)

Molar Mass: 258.115

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.005142
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DINKXUCRJBUQAZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.35
Topological Polar Surface Area 39.19
Polarizability 22.24
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 263270-02-6 $14.49-$149.04$14.49$20.70$46.58$149.04
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 263270-02-6 $82.80-$1,368.50$82.80$86.25$97.75$109.25$339.25$1,368.50
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