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53636-56-9 | Methyl 3-bromo-2-pyridinecarboxylate
CAS No: 53636-56-9 Catalog No: AG00356O MDL No:MFCD12025946
Product Description
Catalog Number:
AG00356O
Chemical Name:
Methyl 3-bromo-2-pyridinecarboxylate
CAS Number:
53636-56-9
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD12025946
IUPAC Name:
methyl 3-bromopyridine-2-carboxylate
InChI:
InChI=1S/C7H6BrNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3
InChI Key:
GSTYLUGZSCVBTJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncccc1Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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