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176795-44-1 | Benzoxazole, 6-(bromomethyl)-2-[4-(bromomethyl)phenyl]-
CAS No: 176795-44-1 Catalog No: AG0024WQ MDL No:
Product Description
Catalog Number:
AG0024WQ
Chemical Name:
Benzoxazole, 6-(bromomethyl)-2-[4-(bromomethyl)phenyl]-
CAS Number:
176795-44-1
Molecular Formula:
C15H11Br2NO
Molecular Weight:
381.0619
IUPAC Name:
6-(bromomethyl)-2-[4-(bromomethyl)phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C15H11Br2NO/c16-8-10-1-4-12(5-2-10)15-18-13-6-3-11(9-17)7-14(13)19-15/h1-7H,8-9H2
InChI Key:
KCPDXQHMVDCOSB-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)c1nc2c(o1)cc(cc2)CBr
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.919g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.067g/mol
Monoisotopic Mass:
378.921g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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