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81255-55-2 | 1,4-Benzenediol, 2-(2-aminoethyl)-5-bromo-
CAS No: 81255-55-2 Catalog No: AG0054V3 MDL No:
Product Description
Catalog Number:
AG0054V3
Chemical Name:
1,4-Benzenediol, 2-(2-aminoethyl)-5-bromo-
CAS Number:
81255-55-2
Molecular Formula:
C8H10BrNO2
Molecular Weight:
232.0745
IUPAC Name:
2-(2-aminoethyl)-5-bromobenzene-1,4-diol
InChI:
InChI=1S/C8H10BrNO2/c9-6-4-7(11)5(1-2-10)3-8(6)12/h3-4,11-12H,1-2,10H2
InChI Key:
NBXCQBGYUVQBKY-UHFFFAOYSA-N
SMILES:
NCCc1cc(O)c(cc1O)Br
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.077g/mol
Monoisotopic Mass:
230.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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