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Home > Bromides > 1268037-03-1
1268037-03-1 | Benzoxazole, 6-bromo-5-methyl-
CAS No: 1268037-03-1 Catalog No: AG000T8Z MDL No:MFCD19375753
Product Description
Catalog Number:
AG000T8Z
Chemical Name:
Benzoxazole, 6-bromo-5-methyl-
CAS Number:
1268037-03-1
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD19375753
IUPAC Name:
6-bromo-5-methyl-1,3-benzoxazole
InChI:
InChI=1S/C8H6BrNO/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-4H,1H3
InChI Key:
UIHWTTPDAGIGAU-UHFFFAOYSA-N
SMILES:
Brc1cc2ocnc2cc1C
Properties
Complexity:
153
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:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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