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309263-43-2 | 2H-1,4-Benzoxazine, 3-(4-bromophenyl)-6-chloro-
CAS No: 309263-43-2 Catalog No: AG0031OG MDL No:
Product Description
Catalog Number:
AG0031OG
Chemical Name:
2H-1,4-Benzoxazine, 3-(4-bromophenyl)-6-chloro-
CAS Number:
309263-43-2
Molecular Formula:
C14H9BrClNO
Molecular Weight:
322.5844
IUPAC Name:
3-(4-bromophenyl)-6-chloro-2H-1,4-benzoxazine
InChI:
InChI=1S/C14H9BrClNO/c15-10-3-1-9(2-4-10)13-8-18-14-6-5-11(16)7-12(14)17-13/h1-7H,8H2
InChI Key:
PMTXFVMYQVXLTH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1=Nc2c(OC1)ccc(c2)Cl
Properties
Complexity:
328
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:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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