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14733-73-4 | 2(3H)-Benzoxazolone, 5-bromo-
CAS No: 14733-73-4 Catalog No: AG001ET2 MDL No:MFCD01664246
Product Description
Catalog Number:
AG001ET2
Chemical Name:
2(3H)-Benzoxazolone, 5-bromo-
CAS Number:
14733-73-4
Molecular Formula:
C7H4BrNO2
Molecular Weight:
214.0162
MDL Number:
MFCD01664246
IUPAC Name:
5-bromo-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key:
DMHTZWJRUUOALC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(=O)o2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.943g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.018g/mol
Monoisotopic Mass:
212.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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