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304858-44-4 | 2H-3,1-Benzoxazine, 6-bromo-1,4-dihydro-2,4,4-trimethyl-
CAS No: 304858-44-4 Catalog No: AG0030AV MDL No:
Product Description
Catalog Number:
AG0030AV
Chemical Name:
2H-3,1-Benzoxazine, 6-bromo-1,4-dihydro-2,4,4-trimethyl-
CAS Number:
304858-44-4
Molecular Formula:
C11H14BrNO
Molecular Weight:
256.1390
IUPAC Name:
6-bromo-2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazine
InChI:
InChI=1S/C11H14BrNO/c1-7-13-10-5-4-8(12)6-9(10)11(2,3)14-7/h4-7,13H,1-3H3
InChI Key:
UWNGZUZXZLSTCT-UHFFFAOYSA-N
SMILES:
CC1Nc2ccc(cc2C(O1)(C)C)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.143g/mol
Monoisotopic Mass:
255.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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