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1341121-00-3 | 4-[(3-Bromophenyl)methyl]oxan-4-ylmethanamine
CAS No: 1341121-00-3 Catalog No: AG01FAAU MDL No:
Product Description
Catalog Number:
AG01FAAU
Chemical Name:
4-[(3-Bromophenyl)methyl]oxan-4-ylmethanamine
CAS Number:
1341121-00-3
Molecular Formula:
C13H18BrNO
Molecular Weight:
284.1921
IUPAC Name:
[4-[(3-bromophenyl)methyl]oxan-4-yl]methanamine
InChI:
InChI=1S/C13H18BrNO/c14-12-3-1-2-11(8-12)9-13(10-15)4-6-16-7-5-13/h1-3,8H,4-7,9-10,15H2
InChI Key:
DRMIWYJJHCVQOK-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)Cc1cccc(c1)Br
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.197g/mol
Monoisotopic Mass:
283.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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