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methyl 3-amino-3-(5-bromopyridin-3-yl)propanoate

methyl 3-amino-3-(5-bromopyridin-3-yl)propanoate

Formula: C9H11BrN2O2

SMILES: COC(=O)CC(N)C1=CC(Br)=CN=C1

IUPAC: methyl 3-amino-3-(5-bromopyridin-3-yl)propanoate

InChI: InChI=1/C9H11BrN2O2/c1-14-9(13)3-8(11)6-2-7(10)5-12-4-6/h2,4-5,8H,3,11H2,1H3

Composition: C (41.72%), H (4.28%), Br (30.84%), N (10.81%), O (12.35%)

Molar Mass: 259.103

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 258.000391
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ASWDQFLIXWPHMG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.22
Topological Polar Surface Area 65.21
Polarizability 21.98
Ring Count 1
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
A1 Bio Chem Labs
Purity LeadTime Formula UnitPrice
0% <10 Days C9H11BrN2O2 Quote Only
LabNetwork INC
Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C9H11BrN2O2 $235.87-$884.52$235.87$442.26$884.52
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