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1199557-04-4 | CarbaMic acid, N-(6-chloro-2-forMyl-3-pyridinyl)-, 1,1-diMethylethyl ester
CAS No: 1199557-04-4 Catalog No: AG000PVS MDL No:MFCD18452130
Product Description
Catalog Number:
AG000PVS
Chemical Name:
CarbaMic acid, N-(6-chloro-2-forMyl-3-pyridinyl)-, 1,1-diMethylethyl ester
CAS Number:
1199557-04-4
Molecular Formula:
C11H13ClN2O3
Molecular Weight:
256.6855
MDL Number:
MFCD18452130
IUPAC Name:
tert-butyl N-(6-chloro-2-formylpyridin-3-yl)carbamate
InChI:
InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-7-4-5-9(12)13-8(7)6-15/h4-6H,1-3H3,(H,14,16)
InChI Key:
FODPXVHIRZYSDA-UHFFFAOYSA-N
SMILES:
O=Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.686g/mol
Monoisotopic Mass:
256.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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