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28953-24-4 | Carbamic acid, 2-benzothiazolyl-, methyl ester (9CI)
CAS No: 28953-24-4 Catalog No: AG00C1QL MDL No:MFCD00591246
Product Description
Catalog Number:
AG00C1QL
Chemical Name:
Carbamic acid, 2-benzothiazolyl-, methyl ester (9CI)
CAS Number:
28953-24-4
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD00591246
IUPAC Name:
methyl N-(1,3-benzothiazol-2-yl)carbamate
InChI:
InChI=1S/C9H8N2O2S/c1-13-9(12)11-8-10-6-4-2-3-5-7(6)14-8/h2-5H,1H3,(H,10,11,12)
InChI Key:
YKWJTPUXFFRTFG-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c(s1)cccc2
Properties
Complexity:
225
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:
2
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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