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6797-50-8 | 2-isobutylbenzoxazole
CAS No: 6797-50-8 Catalog No: AG00FT86 MDL No:
Product Description
Catalog Number:
AG00FT86
Chemical Name:
2-isobutylbenzoxazole
CAS Number:
6797-50-8
IUPAC Name:
2-(2-methylpropyl)-1,3-benzoxazole
InChI:
InChI=1S/C11H13NO/c1-8(2)7-11-12-9-5-3-4-6-10(9)13-11/h3-6,8H,7H2,1-2H3
InChI Key:
ZORIKMFUXMCILS-UHFFFAOYSA-N
EC Number:
229-870-1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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