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1692612-06-8 | 3-bromo-4-(3-hydroxypyrrolidin-1-yl)benzaldehyde
CAS No: 1692612-06-8 Catalog No: AG01C8SI MDL No:MFCD31443234
Product Description
Catalog Number:
AG01C8SI
Chemical Name:
3-bromo-4-(3-hydroxypyrrolidin-1-yl)benzaldehyde
CAS Number:
1692612-06-8
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
MDL Number:
MFCD31443234
IUPAC Name:
3-bromo-4-(3-hydroxypyrrolidin-1-yl)benzaldehyde
InChI:
InChI=1S/C11H12BrNO2/c12-10-5-8(7-14)1-2-11(10)13-4-3-9(15)6-13/h1-2,5,7,9,15H,3-4,6H2
InChI Key:
JFODTARGAJEPCU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)N1CCC(C1)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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