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102394-37-6 | Benzoxazole, 2-[(4-bromophenyl)methyl]-5-chloro-
CAS No: 102394-37-6 Catalog No: AG0007BM MDL No:
Product Description
Catalog Number:
AG0007BM
Chemical Name:
Benzoxazole, 2-[(4-bromophenyl)methyl]-5-chloro-
CAS Number:
102394-37-6
Molecular Formula:
C14H9BrClNO
Molecular Weight:
322.5844
IUPAC Name:
2-[(4-bromophenyl)methyl]-5-chloro-1,3-benzoxazole
InChI:
InChI=1S/C14H9BrClNO/c15-10-3-1-9(2-4-10)7-14-17-12-8-11(16)5-6-13(12)18-14/h1-6,8H,7H2
InChI Key:
UUCVQIQOMQYYQD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cc1nc2c(o1)ccc(c2)Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.956g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.586g/mol
Monoisotopic Mass:
320.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Synthesis and microbiological activity of some N-(o-hydroxyphenyl)benzamides and phenylacetamides as the possible metabolites of antimicrobial active benzoxazoles: part II. | Farmaco (Societa chimica italiana : 1989) 20000101 |
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