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114479-70-8 | Oxazole, 2-(2-bromo-1-methylethyl)-4,5-dihydro-
CAS No: 114479-70-8 Catalog No: AG000EI5 MDL No:
Product Description
Catalog Number:
AG000EI5
Chemical Name:
Oxazole, 2-(2-bromo-1-methylethyl)-4,5-dihydro-
CAS Number:
114479-70-8
Molecular Formula:
C6H10BrNO
Molecular Weight:
192.0537
IUPAC Name:
2-(1-bromopropan-2-yl)-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C6H10BrNO/c1-5(4-7)6-8-2-3-9-6/h5H,2-4H2,1H3
InChI Key:
UMAWFPGNYRZMSI-UHFFFAOYSA-N
SMILES:
BrCC(C1=NCCO1)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.995g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.056g/mol
Monoisotopic Mass:
190.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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