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138763-65-2 | Carbamic acid, (2-chloro-4-pyridinyl)-, butyl ester (9CI)
CAS No: 138763-65-2 Catalog No: AG0019IL MDL No:
Product Description
Catalog Number:
AG0019IL
Chemical Name:
Carbamic acid, (2-chloro-4-pyridinyl)-, butyl ester (9CI)
CAS Number:
138763-65-2
Molecular Formula:
C10H13ClN2O2
Molecular Weight:
228.6754
IUPAC Name:
butyl N-(2-chloropyridin-4-yl)carbamate
InChI:
InChI=1S/C10H13ClN2O2/c1-2-3-6-15-10(14)13-8-4-5-12-9(11)7-8/h4-5,7H,2-3,6H2,1H3,(H,12,13,14)
InChI Key:
AZJLZPTVXCEPCK-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Nc1ccnc(c1)Cl
Properties
Complexity:
202
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:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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