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146563-40-8 | 1-Butanol, 4-bromo-, 1-nitrate
CAS No: 146563-40-8 Catalog No: AG001E4R MDL No:
Product Description
Catalog Number:
AG001E4R
Chemical Name:
1-Butanol, 4-bromo-, 1-nitrate
CAS Number:
146563-40-8
Molecular Formula:
C4H8BrNO3
Molecular Weight:
198.0152
IUPAC Name:
4-bromobutyl nitrate
InChI:
InChI=1S/C4H8BrNO3/c5-3-1-2-4-9-6(7)8/h1-4H2
InChI Key:
IKDHVMDABUMCLO-UHFFFAOYSA-N
SMILES:
BrCCCCO[N+](=O)[O-]
Properties
Complexity:
82.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.969g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.016g/mol
Monoisotopic Mass:
196.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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