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74209-47-5 | Benzeneethanamine,4-bromo-b,b-diethoxy-
CAS No: 74209-47-5 Catalog No: AG005DBP MDL No:
Product Description
Catalog Number:
AG005DBP
Chemical Name:
Benzeneethanamine,4-bromo-b,b-diethoxy-
CAS Number:
74209-47-5
Molecular Formula:
C12H18BrNO2
Molecular Weight:
288.1808
IUPAC Name:
2-(4-bromophenyl)-2,2-diethoxyethanamine
InChI:
InChI=1S/C12H18BrNO2/c1-3-15-12(9-14,16-4-2)10-5-7-11(13)8-6-10/h5-8H,3-4,9,14H2,1-2H3
InChI Key:
ZJDXGTRDRVMHGN-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)Br)(OCC)OCC
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.185g/mol
Monoisotopic Mass:
287.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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