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876752-72-6 | Pyrrolidine, 1-(4-bromo-3-methoxybenzoyl)-
CAS No: 876752-72-6 Catalog No: AG004GZW MDL No:
Product Description
Catalog Number:
AG004GZW
Chemical Name:
Pyrrolidine, 1-(4-bromo-3-methoxybenzoyl)-
CAS Number:
876752-72-6
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
IUPAC Name:
(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C12H14BrNO2/c1-16-11-8-9(4-5-10(11)13)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
ZXPZEXSSPDSBKD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Br)C(=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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