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Home > Nitro Compounds > 82657-53-2
82657-53-2 | 1,3,2-Dioxaborinane, 2-(1-methylethyl)-5-nitro-
CAS No: 82657-53-2 Catalog No: AG004WWJ MDL No:
Product Description
Catalog Number:
AG004WWJ
Chemical Name:
1,3,2-Dioxaborinane, 2-(1-methylethyl)-5-nitro-
CAS Number:
82657-53-2
Molecular Formula:
C6H12BNO4
Molecular Weight:
172.9748
IUPAC Name:
5-nitro-2-propan-2-yl-1,3,2-dioxaborinane
InChI:
InChI=1S/C6H12BNO4/c1-5(2)7-11-3-6(4-12-7)8(9)10/h5-6H,3-4H2,1-2H3
InChI Key:
UXPTVABKXUWYOJ-UHFFFAOYSA-N
SMILES:
CC(B1OCC(CO1)[N+](=O)[O-])C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.086g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.975g/mol
Monoisotopic Mass:
173.086g/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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