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1068976-22-6 | tert-Butyl 3-Chloropyridin-4-ylcarbamate
CAS No: 1068976-22-6 Catalog No: AG01FBRN MDL No:
Product Description
Catalog Number:
AG01FBRN
Chemical Name:
tert-Butyl 3-Chloropyridin-4-ylcarbamate
CAS Number:
1068976-22-6
Molecular Formula:
C10H13ClN2O2
Molecular Weight:
228.6754
IUPAC Name:
tert-butyl N-(3-chloropyridin-4-yl)carbamate
InChI:
InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h4-6H,1-3H3,(H,12,13,14)
InChI Key:
OUZIURMUCIZJHF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccncc1Cl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.676g/mol
Monoisotopic Mass:
228.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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