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Home > Bromides > 1225347-07-8
1225347-07-8 | 1,3-Dioxane, 5-(6-bromo-2-naphthalenyl)-2,2-dimethyl-5-nitro-
CAS No: 1225347-07-8 Catalog No: AG0017EN MDL No:MFCD23135338
Product Description
Catalog Number:
AG0017EN
Chemical Name:
1,3-Dioxane, 5-(6-bromo-2-naphthalenyl)-2,2-dimethyl-5-nitro-
CAS Number:
1225347-07-8
Molecular Formula:
C16H16BrNO4
Molecular Weight:
366.2065
MDL Number:
MFCD23135338
IUPAC Name:
5-(6-bromonaphthalen-2-yl)-2,2-dimethyl-5-nitro-1,3-dioxane
InChI:
InChI=1S/C16H16BrNO4/c1-15(2)21-9-16(10-22-15,18(19)20)13-5-3-12-8-14(17)6-4-11(12)7-13/h3-8H,9-10H2,1-2H3
InChI Key:
HPLUMECHGJQUAY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc(c2)C1(COC(OC1)(C)C)[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.211g/mol
Monoisotopic Mass:
365.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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