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28953-17-5 | Carbamic acid, N-2-benzothiazolyl-, phenyl ester
CAS No: 28953-17-5 Catalog No: AG002X6H MDL No:MFCD00585637
Product Description
Catalog Number:
AG002X6H
Chemical Name:
Carbamic acid, N-2-benzothiazolyl-, phenyl ester
CAS Number:
28953-17-5
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
MDL Number:
MFCD00585637
IUPAC Name:
phenyl N-(1,3-benzothiazol-2-yl)carbamate
InChI:
InChI=1S/C14H10N2O2S/c17-14(18-10-6-2-1-3-7-10)16-13-15-11-8-4-5-9-12(11)19-13/h1-9H,(H,15,16,17)
InChI Key:
JRLUQGSODQQBFK-UHFFFAOYSA-N
SMILES:
O=C(Nc1nc2c(s1)cccc2)Oc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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