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Home > Bromides > 1003707-40-1
1003707-40-1 | 2H-1,4-Benzoxazine, 7-bromo-3,4-dihydro-5-nitro-
CAS No: 1003707-40-1 Catalog No: AG0001RB MDL No:MFCD09955632
Product Description
Catalog Number:
AG0001RB
Chemical Name:
2H-1,4-Benzoxazine, 7-bromo-3,4-dihydro-5-nitro-
CAS Number:
1003707-40-1
Molecular Formula:
C8H7BrN2O3
Molecular Weight:
259.0568
MDL Number:
MFCD09955632
IUPAC Name:
7-bromo-5-nitro-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C8H7BrN2O3/c9-5-3-6(11(12)13)8-7(4-5)14-2-1-10-8/h3-4,10H,1-2H2
InChI Key:
VOJBYCFBVREHKD-UHFFFAOYSA-N
SMILES:
Brc1cc2OCCNc2c(c1)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.059g/mol
Monoisotopic Mass:
257.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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