200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1260644-50-5
1260644-50-5 | 1-Isoquinolinecarboxylic acid, 6-bromo-1,2,3,4-tetrahydro-, ethyl ester
CAS No: 1260644-50-5 Catalog No: AG000QYN MDL No:MFCD04114840
Product Description
Catalog Number:
AG000QYN
Chemical Name:
1-Isoquinolinecarboxylic acid, 6-bromo-1,2,3,4-tetrahydro-, ethyl ester
CAS Number:
1260644-50-5
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
MDL Number:
MFCD04114840
IUPAC Name:
ethyl 6-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
InChI:
InChI=1S/C12H14BrNO2/c1-2-16-12(15)11-10-4-3-9(13)7-8(10)5-6-14-11/h3-4,7,11,14H,2,5-6H2,1H3
InChI Key:
YFUPIRKWBYJEDY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NCCc2c1ccc(c2)Br
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.