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Home > Bromides > 1257664-97-3
1257664-97-3 | Methanone, (4-bromo-2-methoxyphenyl)-1-pyrrolidinyl-
CAS No: 1257664-97-3 Catalog No: AG000OOD MDL No:MFCD18087702
Product Description
Catalog Number:
AG000OOD
Chemical Name:
Methanone, (4-bromo-2-methoxyphenyl)-1-pyrrolidinyl-
CAS Number:
1257664-97-3
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
MDL Number:
MFCD18087702
IUPAC Name:
(4-bromo-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C12H14BrNO2/c1-16-11-8-9(13)4-5-10(11)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
VBRHKYBMZIGYMK-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1C(=O)N1CCCC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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