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Home > Bromides > 1245643-21-3
1245643-21-3 | 2H-3,1-Benzoxazin-2-one, 7-bromo-1,4-dihydro-4,4-dimethyl-
CAS No: 1245643-21-3 Catalog No: AG000M8E MDL No:MFCD12755798
Product Description
Catalog Number:
AG000M8E
Chemical Name:
2H-3,1-Benzoxazin-2-one, 7-bromo-1,4-dihydro-4,4-dimethyl-
CAS Number:
1245643-21-3
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD12755798
IUPAC Name:
7-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one
InChI:
InChI=1S/C10H10BrNO2/c1-10(2)7-4-3-6(11)5-8(7)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)
InChI Key:
STVSVQWHHDPUEX-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)c2c(N1)cc(cc2)Br
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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