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877624-38-9 | Methyl 5-(bromomethyl);nicotinate
CAS No: 877624-38-9 Catalog No: AG004FLD MDL No:MFCD10566278
Product Description
Catalog Number:
AG004FLD
Chemical Name:
Methyl 5-(bromomethyl);nicotinate
CAS Number:
877624-38-9
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD10566278
IUPAC Name:
methyl 5-(bromomethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,3H2,1H3
InChI Key:
AEZXIAKNBQNDPO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CBr)cnc1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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