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868736-42-9 | tert-Butyl (4-chloro-3-formylpyridin-2-yl);carbamate
CAS No: 868736-42-9 Catalog No: AG004PH1 MDL No:MFCD15530295
Product Description
Catalog Number:
AG004PH1
Chemical Name:
tert-Butyl (4-chloro-3-formylpyridin-2-yl);carbamate
CAS Number:
868736-42-9
Molecular Formula:
C11H13ClN2O3
Molecular Weight:
256.6855
MDL Number:
MFCD15530295
IUPAC Name:
tert-butyl N-(4-chloro-3-formylpyridin-2-yl)carbamate
InChI:
InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChI Key:
QWVXQYZWGQFXPU-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.686g/mol
Monoisotopic Mass:
256.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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