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1240594-60-8 | Carbamic acid, N-[(5-chloro-2-pyrimidinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1240594-60-8 Catalog No: AG000LHD MDL No:
Product Description
Catalog Number:
AG000LHD
Chemical Name:
Carbamic acid, N-[(5-chloro-2-pyrimidinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1240594-60-8
Molecular Formula:
C10H14ClN3O2
Molecular Weight:
243.6901
IUPAC Name:
tert-butyl N-[(5-chloropyrimidin-2-yl)methyl]carbamate
InChI:
InChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)14-6-8-12-4-7(11)5-13-8/h4-5H,6H2,1-3H3,(H,14,15)
InChI Key:
BENCZHUTKWOPCH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ncc(cn1)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.691g/mol
Monoisotopic Mass:
243.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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