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Home > Aldehydes > 742099-40-7
742099-40-7 | 5-Bromo-2-(pyrrolidin-1-yl);benzaldehyde
CAS No: 742099-40-7 Catalog No: AG005YZG MDL No:MFCD21333082
Product Description
Catalog Number:
AG005YZG
Chemical Name:
5-Bromo-2-(pyrrolidin-1-yl);benzaldehyde
CAS Number:
742099-40-7
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD21333082
IUPAC Name:
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H12BrNO/c12-10-3-4-11(9(7-10)8-14)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2
InChI Key:
JARYZLUYHJBEER-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1N1CCCC1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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