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1666113-03-6 | Carbamic acid, N-(3-bromo-5-fluoro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1666113-03-6 Catalog No: AG001WUU MDL No:
Product Description
Catalog Number:
AG001WUU
Chemical Name:
Carbamic acid, N-(3-bromo-5-fluoro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1666113-03-6
Molecular Formula:
C10H12BrFN2O2
Molecular Weight:
291.1169
IUPAC Name:
tert-butyl N-(3-bromo-5-fluoropyridin-2-yl)carbamate
InChI:
InChI=1S/C10H12BrFN2O2/c1-10(2,3)16-9(15)14-8-7(11)4-6(12)5-13-8/h4-5H,1-3H3,(H,13,14,15)
InChI Key:
BCZDTVMUWPIRAY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ncc(cc1Br)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.12g/mol
Monoisotopic Mass:
290.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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