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887581-73-9 | (5-Bromobenzo[d][1,3]dioxol-7-yl)methanamine
CAS No: 887581-73-9 Catalog No: AG01FG6J MDL No:
Product Description
Catalog Number:
AG01FG6J
Chemical Name:
(5-Bromobenzo[d][1,3]dioxol-7-yl)methanamine
CAS Number:
887581-73-9
IUPAC Name:
(6-bromo-1,3-benzodioxol-4-yl)methanamine
InChI:
InChI=1S/C8H8BrNO2/c9-6-1-5(3-10)8-7(2-6)11-4-12-8/h1-2H,3-4,10H2
InChI Key:
SMZCQOSIKIMZDI-UHFFFAOYSA-N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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