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Home > Bromides > 1194753-61-1
1194753-61-1 | 1,2,4-Oxadiazole, 3-[4-(bromomethyl)phenyl]-
CAS No: 1194753-61-1 Catalog No: AG000IUQ MDL No:
Product Description
Catalog Number:
AG000IUQ
Chemical Name:
1,2,4-Oxadiazole, 3-[4-(bromomethyl)phenyl]-
CAS Number:
1194753-61-1
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
IUPAC Name:
3-[4-(bromomethyl)phenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7BrN2O/c10-5-7-1-3-8(4-2-7)9-11-6-13-12-9/h1-4,6H,5H2
InChI Key:
UPGZRHHHNZBSSC-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)c1nocn1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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