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176594-44-8 | 1-Hexanol, 6-bromo-, 1-nitrate
CAS No: 176594-44-8 Catalog No: AG0024RE MDL No:
Product Description
Catalog Number:
AG0024RE
Chemical Name:
1-Hexanol, 6-bromo-, 1-nitrate
CAS Number:
176594-44-8
Molecular Formula:
C6H12BrNO3
Molecular Weight:
226.0684
IUPAC Name:
6-bromohexan-1-ol;nitric acid
InChI:
InChI=1S/C6H13BrO.HNO3/c7-5-3-1-2-4-6-8;2-1(3)4/h8H,1-6H2;(H,2,3,4)
InChI Key:
QDTQLNHLOZLNFT-UHFFFAOYSA-N
SMILES:
BrCCCCCCO[N+](=O)[O-]
Properties
Complexity:
64.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.085g/mol
Monoisotopic Mass:
243.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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