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433924-21-1 | Benzothiazole, 2-[(2-butenyloxy)methyl]- (9CI)
CAS No: 433924-21-1 Catalog No: AG00DO29 MDL No:
Product Description
Catalog Number:
AG00DO29
Chemical Name:
Benzothiazole, 2-[(2-butenyloxy)methyl]- (9CI)
CAS Number:
433924-21-1
IUPAC Name:
2-[[(E)-but-2-enoxy]methyl]-1,3-benzothiazole
InChI:
InChI=1S/C12H13NOS/c1-2-3-8-14-9-12-13-10-6-4-5-7-11(10)15-12/h2-7H,8-9H2,1H3/b3-2+
InChI Key:
AQPRPTWXOQXGGC-NSCUHMNNSA-N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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