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Home > Bromides > 1246472-00-3
1246472-00-3 | Benzoxazole, 2-bromo-5-nitro-
CAS No: 1246472-00-3 Catalog No: AG000MIH MDL No:MFCD17169278
Product Description
Catalog Number:
AG000MIH
Chemical Name:
Benzoxazole, 2-bromo-5-nitro-
CAS Number:
1246472-00-3
Molecular Formula:
C7H3BrN2O3
Molecular Weight:
243.0143
MDL Number:
MFCD17169278
IUPAC Name:
2-bromo-5-nitro-1,3-benzoxazole
InChI:
InChI=1S/C7H3BrN2O3/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H
InChI Key:
NRIUPKKUFSXWEA-UHFFFAOYSA-N
SMILES:
Brc1oc2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.933g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.016g/mol
Monoisotopic Mass:
241.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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