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1445988-32-8 | Carbamic acid, N-(3-methoxy-1,2,4-thiadiazol-5-yl)-, phenyl ester
CAS No: 1445988-32-8 Catalog No: AG001JTF MDL No:MFCD30489554
Product Description
Catalog Number:
AG001JTF
Chemical Name:
Carbamic acid, N-(3-methoxy-1,2,4-thiadiazol-5-yl)-, phenyl ester
CAS Number:
1445988-32-8
Molecular Formula:
C10H9N3O3S
Molecular Weight:
251.2618
MDL Number:
MFCD30489554
IUPAC Name:
phenyl N-(3-methoxy-1,2,4-thiadiazol-5-yl)carbamate
InChI:
InChI=1S/C10H9N3O3S/c1-15-8-11-9(17-13-8)12-10(14)16-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,13,14)
InChI Key:
WLFZBSSDZNVOJT-UHFFFAOYSA-N
SMILES:
COc1nsc(n1)NC(=O)Oc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.26g/mol
Monoisotopic Mass:
251.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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