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144181-27-1 | Phenol, 5-(2-aminoethyl)-2-chloro-, hydrobromide (1:1)
CAS No: 144181-27-1 Catalog No: AG001J2R MDL No:
Product Description
Catalog Number:
AG001J2R
Chemical Name:
Phenol, 5-(2-aminoethyl)-2-chloro-, hydrobromide (1:1)
CAS Number:
144181-27-1
Molecular Formula:
C8H11BrClNO
Molecular Weight:
252.5360
IUPAC Name:
5-(2-aminoethyl)-2-chlorophenol;hydrobromide
InChI:
InChI=1S/C8H10ClNO.BrH/c9-7-2-1-6(3-4-10)5-8(7)11;/h1-2,5,11H,3-4,10H2;1H
InChI Key:
XZKMQVGGVMQCPC-UHFFFAOYSA-N
SMILES:
NCCc1ccc(c(c1)O)Cl.Br
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.536g/mol
Monoisotopic Mass:
250.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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