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1799434-46-0 | Carbamic acid, N-(3-bromo-6-quinolinyl)-, methyl ester
CAS No: 1799434-46-0 Catalog No: AG0021HI MDL No:
Product Description
Catalog Number:
AG0021HI
Chemical Name:
Carbamic acid, N-(3-bromo-6-quinolinyl)-, methyl ester
CAS Number:
1799434-46-0
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
IUPAC Name:
methyl N-(3-bromoquinolin-6-yl)carbamate
InChI:
InChI=1S/C11H9BrN2O2/c1-16-11(15)14-9-2-3-10-7(5-9)4-8(12)6-13-10/h2-6H,1H3,(H,14,15)
InChI Key:
RSWJTARMAIMZQX-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccc2c(c1)cc(cn2)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.109g/mol
Monoisotopic Mass:
279.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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