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1640995-60-3 | Carbamic acid, N-[(6-chloro-2-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1640995-60-3 Catalog No: AG001UMQ MDL No:MFCD27923671
Product Description
Catalog Number:
AG001UMQ
Chemical Name:
Carbamic acid, N-[(6-chloro-2-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1640995-60-3
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
MDL Number:
MFCD27923671
IUPAC Name:
tert-butyl N-[(6-chloropyridin-2-yl)methyl]carbamate
InChI:
InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)13-7-8-5-4-6-9(12)14-8/h4-6H,7H2,1-3H3,(H,13,15)
InChI Key:
BBSVDLXXIGIELL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cccc(n1)Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.703g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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