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1445951-50-7 | Carbamic acid, N-(7-bromoimidazo[1,2-a]pyridin-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1445951-50-7 Catalog No: AG001JSH MDL No:MFCD25509392
Product Description
Catalog Number:
AG001JSH
Chemical Name:
Carbamic acid, N-(7-bromoimidazo[1,2-a]pyridin-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1445951-50-7
Molecular Formula:
C12H14BrN3O2
Molecular Weight:
312.1625
MDL Number:
MFCD25509392
IUPAC Name:
tert-butyl N-(7-bromoimidazo[1,2-a]pyridin-2-yl)carbamate
InChI:
InChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)15-9-7-16-5-4-8(13)6-10(16)14-9/h4-7H,1-3H3,(H,15,17)
InChI Key:
KXBUZKQYPXTWGK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cn2c(n1)cc(cc2)Br
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.167g/mol
Monoisotopic Mass:
311.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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