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181040-42-6 | Benzoxazole, 6-(broMoMethyl)-
CAS No: 181040-42-6 Catalog No: AG0022MX MDL No:
Product Description
Catalog Number:
AG0022MX
Chemical Name:
Benzoxazole, 6-(broMoMethyl)-
CAS Number:
181040-42-6
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
IUPAC Name:
6-(bromomethyl)-1,3-benzoxazole
InChI:
InChI=1S/C8H6BrNO/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4H2
InChI Key:
KVHCMIKTRDUASP-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)ocn2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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