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23543-10-4 | Thiocyanic acid, 2-chloro-4-[(2-chloroacetyl)amino]-5-methoxyphenyl ester
CAS No: 23543-10-4 Catalog No: AG002NN1 MDL No:
Product Description
Catalog Number:
AG002NN1
Chemical Name:
Thiocyanic acid, 2-chloro-4-[(2-chloroacetyl)amino]-5-methoxyphenyl ester
CAS Number:
23543-10-4
Molecular Formula:
C10H8Cl2N2O2S
Molecular Weight:
291.1537
IUPAC Name:
[2-chloro-4-[(2-chloroacetyl)amino]-5-methoxyphenyl] thiocyanate
InChI:
InChI=1S/C10H8Cl2N2O2S/c1-16-8-3-9(17-5-13)6(12)2-7(8)14-10(15)4-11/h2-3H,4H2,1H3,(H,14,15)
InChI Key:
YTSXPYFVTVGBFK-UHFFFAOYSA-N
SMILES:
N#CSc1cc(OC)c(cc1Cl)NC(=O)CCl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.968g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.146g/mol
Monoisotopic Mass:
289.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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