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73986-81-9 | 1,2-benzenediol, 4-(2-aminoethyl)-5-fluoro-, hydrobromide
CAS No: 73986-81-9 Catalog No: AG005AFY MDL No:
Product Description
Catalog Number:
AG005AFY
Chemical Name:
1,2-benzenediol, 4-(2-aminoethyl)-5-fluoro-, hydrobromide
CAS Number:
73986-81-9
Molecular Formula:
C8H11BrFNO2
Molecular Weight:
252.0808
IUPAC Name:
1-[butyl(pentyl)phosphoryl]pentane
InChI:
InChI=1S/C14H31OP/c1-4-7-10-13-16(15,12-9-6-3)14-11-8-5-2/h4-14H2,1-3H3
InChI Key:
QQFXHNRRTWHRGQ-UHFFFAOYSA-N
SMILES:
NCCc1cc(O)c(cc1F)O.Br
NSC Number:
222434
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.211g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.375g/mol
Monoisotopic Mass:
246.211g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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