Home Other Building Blocks METHYL 6-BROMO-1,2,3,4-TETRAHYDROQUINOLINE-4-CARBOXYLATE

METHYL 6-BROMO-1,2,3,4-TETRAHYDROQUINOLINE-4-CARBOXYLATE

CAS No.:
1508913-34-5
Catalog Number:
AG01BT8Y
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
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Product Description
Catalog Number:
AG01BT8Y
Chemical Name:
METHYL 6-BROMO-1,2,3,4-TETRAHYDROQUINOLINE-4-CARBOXYLATE
CAS Number:
1508913-34-5
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
MDL Number:
MFCD26749286
IUPAC Name:
methyl 6-bromo-1,2,3,4-tetrahydroquinoline-4-carboxylate
InChI:
InChI=1S/C11H12BrNO2/c1-15-11(14)8-4-5-13-10-3-2-7(12)6-9(8)10/h2-3,6,8,13H,4-5H2,1H3
InChI Key:
DCQXYNDRHYFYQX-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCNc2c1cc(Br)cc2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties