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188947-79-7 | 2H-1,4-Benzoxazine, 6-bromo-3,4-dihydro-4-methyl-
CAS No: 188947-79-7 Catalog No: AG002HL6 MDL No:MFCD06658984
Product Description
Catalog Number:
AG002HL6
Chemical Name:
2H-1,4-Benzoxazine, 6-bromo-3,4-dihydro-4-methyl-
CAS Number:
188947-79-7
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
MDL Number:
MFCD06658984
IUPAC Name:
6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
InChI:
InChI=1S/C9H10BrNO/c1-11-4-5-12-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3
InChI Key:
FZYXJDPNHUFKLO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)N(C)CCO2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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