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Home > Bromides > 1312611-18-9
1312611-18-9 | Carbamic acid, N-(6-bromo-2-quinolinyl)-, 1,1-dimethylethyl ester
CAS No: 1312611-18-9 Catalog No: AG000VTG MDL No:MFCD28133459
Product Description
Catalog Number:
AG000VTG
Chemical Name:
Carbamic acid, N-(6-bromo-2-quinolinyl)-, 1,1-dimethylethyl ester
CAS Number:
1312611-18-9
Molecular Formula:
C14H15BrN2O2
Molecular Weight:
323.1851
MDL Number:
MFCD28133459
IUPAC Name:
tert-butyl N-(6-bromoquinolin-2-yl)carbamate
InChI:
InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-12-7-4-9-8-10(15)5-6-11(9)16-12/h4-8H,1-3H3,(H,16,17,18)
InChI Key:
AWAIMQTZPVJZPD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(n1)ccc(c2)Br
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.19g/mol
Monoisotopic Mass:
322.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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