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79010-27-8 | Ethanone,1-[5-bromo-2-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CAS No: 79010-27-8 Catalog No: AG0054HS MDL No:MFCD01727574
Product Description
Catalog Number:
AG0054HS
Chemical Name:
Ethanone,1-[5-bromo-2-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CAS Number:
79010-27-8
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
MDL Number:
MFCD01727574
IUPAC Name:
1-[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone
InChI:
InChI=1S/C14H18BrNO2/c1-11(17)13-10-12(15)4-5-14(13)18-9-8-16-6-2-3-7-16/h4-5,10H,2-3,6-9H2,1H3
InChI Key:
YEXVGGMQLNFKAH-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)C)OCCN1CCCC1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.207g/mol
Monoisotopic Mass:
311.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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