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938310-95-3 | 3-Bromo-4-(2-(pyrrolidin-1-yl)ethoxy)benzaldehyde
CAS No: 938310-95-3 Catalog No: AG006D0I MDL No:MFCD09710954
Product Description
Catalog Number:
AG006D0I
Chemical Name:
3-Bromo-4-(2-(pyrrolidin-1-yl)ethoxy)benzaldehyde
CAS Number:
938310-95-3
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
MDL Number:
MFCD09710954
IUPAC Name:
3-bromo-4-(2-pyrrolidin-1-ylethoxy)benzaldehyde
InChI:
InChI=1S/C13H16BrNO2/c14-12-9-11(10-16)3-4-13(12)17-8-7-15-5-1-2-6-15/h3-4,9-10H,1-2,5-8H2
InChI Key:
XCDYQVGYDMQRNN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)OCCN1CCCC1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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