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70740-62-4 | 1,3,2-Dioxaborinane, 5-bromo-2-(1-methylethyl)-5-nitro-
CAS No: 70740-62-4 Catalog No: AG005GNG MDL No:
Product Description
Catalog Number:
AG005GNG
Chemical Name:
1,3,2-Dioxaborinane, 5-bromo-2-(1-methylethyl)-5-nitro-
CAS Number:
70740-62-4
Molecular Formula:
C6H11BBrNO4
Molecular Weight:
251.8708
IUPAC Name:
5-bromo-5-nitro-2-propan-2-yl-1,3,2-dioxaborinane
InChI:
InChI=1S/C6H11BBrNO4/c1-5(2)7-12-3-6(8,4-13-7)9(10)11/h5H,3-4H2,1-2H3
InChI Key:
NBIIKUKPINSNJK-UHFFFAOYSA-N
SMILES:
CC(B1OCC(CO1)(Br)[N+](=O)[O-])C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.871g/mol
Monoisotopic Mass:
250.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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