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14572-53-3 | Carbamic acid, butyl-, 3,4,6-trichloro-2-nitrophenyl ester (8CI)
CAS No: 14572-53-3 Catalog No: AG001DCS MDL No:
Product Description
Catalog Number:
AG001DCS
Chemical Name:
Carbamic acid, butyl-, 3,4,6-trichloro-2-nitrophenyl ester (8CI)
CAS Number:
14572-53-3
Molecular Formula:
C11H11Cl3N2O4
Molecular Weight:
341.5750
IUPAC Name:
(3,4,6-trichloro-2-nitrophenyl) N-butylcarbamate
InChI:
InChI=1S/C11H11Cl3N2O4/c1-2-3-4-15-11(17)20-10-7(13)5-6(12)8(14)9(10)16(18)19/h5H,2-4H2,1H3,(H,15,17)
InChI Key:
GUAGVYQTSIEQQY-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)Oc1c(Cl)cc(c(c1[N+](=O)[O-])Cl)Cl
NSC Number:
202937
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.978g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.569g/mol
Monoisotopic Mass:
339.978g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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