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Home > Bromides > 1158735-27-3
1158735-27-3 | Isoxazole, 5-(bromomethyl)-3-(3-bromophenyl)-
CAS No: 1158735-27-3 Catalog No: AG000H0D MDL No:MFCD11840260
Product Description
Catalog Number:
AG000H0D
Chemical Name:
Isoxazole, 5-(bromomethyl)-3-(3-bromophenyl)-
CAS Number:
1158735-27-3
Molecular Formula:
C10H7Br2NO
Molecular Weight:
316.9767
MDL Number:
MFCD11840260
IUPAC Name:
5-(bromomethyl)-3-(3-bromophenyl)-1,2-oxazole
InChI:
InChI=1S/C10H7Br2NO/c11-6-9-5-10(13-14-9)7-2-1-3-8(12)4-7/h1-5H,6H2
InChI Key:
OCTOWVMASYVELT-UHFFFAOYSA-N
SMILES:
BrCc1onc(c1)c1cccc(c1)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.887g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.98g/mol
Monoisotopic Mass:
314.889g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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