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1380300-38-8 | [4-(2-Bromophenyl)oxan-4-yl]methanamine hydrochloride
CAS No: 1380300-38-8 Catalog No: AG01F8A5 MDL No:
Product Description
Catalog Number:
AG01F8A5
Chemical Name:
[4-(2-Bromophenyl)oxan-4-yl]methanamine hydrochloride
CAS Number:
1380300-38-8
Molecular Formula:
C12H17BrClNO
Molecular Weight:
306.6265
IUPAC Name:
[4-(2-bromophenyl)oxan-4-yl]methanamine;hydrochloride
InChI:
InChI=1S/C12H16BrNO.ClH/c13-11-4-2-1-3-10(11)12(9-14)5-7-15-8-6-12;/h1-4H,5-9,14H2;1H
InChI Key:
IQITWIAWMGZVEU-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)c1ccccc1Br.Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.628g/mol
Monoisotopic Mass:
305.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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