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130721-78-7 | Carbamic acid, N-(4-chloro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 130721-78-7 Catalog No: AG000UUT MDL No:MFCD05663519
Product Description
Catalog Number:
AG000UUT
Chemical Name:
Carbamic acid, N-(4-chloro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
130721-78-7
Molecular Formula:
C10H13ClN2O2
Molecular Weight:
228.6754
MDL Number:
MFCD05663519
IUPAC Name:
tert-butyl N-(4-chloropyridin-2-yl)carbamate
InChI:
InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
InChI Key:
ATOQLEMIFREXLS-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccc(c1)Cl)OC(C)(C)C
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:
2.4
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