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58249-63-1

58249-63-1 | Acetamide, N-6-benzothiazolyl- (9CI)

CAS No: 58249-63-1 Catalog No: AG00EMFL MDL No:MFCD00277458

Product Description

Catalog Number:
AG00EMFL
Chemical Name:
Acetamide, N-6-benzothiazolyl- (9CI)
CAS Number:
58249-63-1
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD00277458
IUPAC Name:
N-(1,3-benzothiazol-6-yl)acetamide
InChI:
InChI=1S/C9H8N2OS/c1-6(12)11-7-2-3-8-9(4-7)13-5-10-8/h2-5H,1H3,(H,11,12)
InChI Key:
ZJSLLQFUQDEFFC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc2c(c1)scn2

Properties

Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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