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2620-52-2 | Thiocyanic acid, 4-[[(methylamino)carbonyl]oxy]phenyl ester
CAS No: 2620-52-2 Catalog No: AG002S9H MDL No:MFCD01680354
Product Description
Catalog Number:
AG002S9H
Chemical Name:
Thiocyanic acid, 4-[[(methylamino)carbonyl]oxy]phenyl ester
CAS Number:
2620-52-2
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD01680354
IUPAC Name:
(4-thiocyanatophenyl) N-methylcarbamate
InChI:
InChI=1S/C9H8N2O2S/c1-11-9(12)13-7-2-4-8(5-3-7)14-6-10/h2-5H,1H3,(H,11,12)
InChI Key:
KMAYYXLXLJQEMB-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1ccc(cc1)SC#N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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