Home Other Building Blocks 4-BROMOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER

4-BROMOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER

CAS No.:
1601779-23-0
Catalog Number:
AG01DVRA
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
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Product Description
Catalog Number:
AG01DVRA
Chemical Name:
4-BROMOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER
CAS Number:
1601779-23-0
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
MDL Number:
MFCD22418573
IUPAC Name:
methyl 4-bromoquinoline-3-carboxylate
InChI:
InChI=1S/C11H8BrNO2/c1-15-11(14)8-6-13-9-5-3-2-4-7(9)10(8)12/h2-6H,1H3
InChI Key:
IUXMLCXLPQONMY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1Br)cccc2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.974g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.094g/mol
Monoisotopic Mass:
264.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties