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1240594-10-8 | Carbamic acid, N-[(4-chloro-2-pyrimidinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1240594-10-8 Catalog No: AG000LHG MDL No:
Product Description
Catalog Number:
AG000LHG
Chemical Name:
Carbamic acid, N-[(4-chloro-2-pyrimidinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1240594-10-8
Molecular Formula:
C10H14ClN3O2
Molecular Weight:
243.6901
IUPAC Name:
tert-butyl N-(4-chloropyrimidin-2-yl)-N-methylcarbamate
InChI:
InChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)14(4)8-12-6-5-7(11)13-8/h5-6H,1-4H3
InChI Key:
ZUFKXEMZBDDGCR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1nccc(n1)Cl
Properties
Complexity:
255
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:
0
Isotope Atom Count:
0
Molecular Weight:
243.691g/mol
Monoisotopic Mass:
243.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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