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149105-15-7 | Methanone, (4-bromo-3-methylphenyl)-1-pyrrolidinyl-
CAS No: 149105-15-7 Catalog No: AG001LDU MDL No:MFCD09972125
Product Description
Catalog Number:
AG001LDU
Chemical Name:
Methanone, (4-bromo-3-methylphenyl)-1-pyrrolidinyl-
CAS Number:
149105-15-7
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
MDL Number:
MFCD09972125
IUPAC Name:
(4-bromo-3-methylphenyl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C12H14BrNO/c1-9-8-10(4-5-11(9)13)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
RCAQDBSEMTZVRD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C)Br)N1CCCC1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.154g/mol
Monoisotopic Mass:
267.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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