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methyl (2E)-3-(5-bromo-3-methoxypyridin-2-yl)prop-2-enoate

methyl (2E)-3-(5-bromo-3-methoxypyridin-2-yl)prop-2-enoate

CAS: 1138443-99-8

Formula: C10H10BrNO3

SMILES: COC(=O)C=CC1=NC=C(Br)C=C1OC

IUPAC: methyl (2E)-3-(5-bromo-3-methoxypyridin-2-yl)prop-2-enoate

InChI: InChI=1S/C10H10BrNO3/c1-14-9-5-7(11)6-12-8(9)3-4-10(13)15-2/h3-6H,1-2H3/b4-3+

Composition: C (44.14%), H (3.70%), Br (29.37%), N (5.15%), O (17.64%)

Molar Mass: 272.098

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.984406
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LWYALCCHDRNHDP-ONEGZZNKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.31
Topological Polar Surface Area 48.42
Polarizability 22.77
Ring Count 1
Rotatable Bond Count 4

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