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Home > Bromides > 1373233-46-5
1373233-46-5 | 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-butyl-
CAS No: 1373233-46-5 Catalog No: AG00135A MDL No:MFCD22192497
Product Description
Catalog Number:
AG00135A
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-butyl-
CAS Number:
1373233-46-5
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
MDL Number:
MFCD22192497
IUPAC Name:
6-bromo-4-butyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C12H14BrNO2/c1-2-3-6-14-10-7-9(13)4-5-11(10)16-8-12(14)15/h4-5,7H,2-3,6,8H2,1H3
InChI Key:
QTQAROGFSJPAQC-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)COc2c1cc(Br)cc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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