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88799-18-2 | Morpholinium, 4-bromo-4-(4-bromophenyl)-, bromide
CAS No: 88799-18-2 Catalog No: AG004CT1 MDL No:
Product Description
Catalog Number:
AG004CT1
Chemical Name:
Morpholinium, 4-bromo-4-(4-bromophenyl)-, bromide
CAS Number:
88799-18-2
Molecular Formula:
C10H12Br3NO
Molecular Weight:
401.9204
IUPAC Name:
4-(4-bromophenyl)morpholin-4-ium;dibromide
InChI:
InChI=1S/C10H12BrNO.2BrH/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;;/h1-4H,5-8H2;2*1H/p-1
InChI Key:
UZMLOXHPMWZWOD-UHFFFAOYSA-M
SMILES:
Brc1ccc(cc1)[N+]1(Br)CCOCC1.[Br-]
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.853g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.932g/mol
Monoisotopic Mass:
399.855g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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