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122351-86-4 | Benzoxazole, 2-(4-bromophenyl)-5-chloro-
CAS No: 122351-86-4 Catalog No: AG00175C MDL No:MFCD01974201
Product Description
Catalog Number:
AG00175C
Chemical Name:
Benzoxazole, 2-(4-bromophenyl)-5-chloro-
CAS Number:
122351-86-4
Molecular Formula:
C13H7BrClNO
Molecular Weight:
308.5578
MDL Number:
MFCD01974201
IUPAC Name:
2-(4-bromophenyl)-5-chloro-1,3-benzoxazole
InChI:
InChI=1S/C13H7BrClNO/c14-9-3-1-8(2-4-9)13-16-11-7-10(15)5-6-12(11)17-13/h1-7H
InChI Key:
CPHRDAGIDJZPDC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2c(o1)ccc(c2)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.94g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.559g/mol
Monoisotopic Mass:
306.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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