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2060057-06-7 | 2-[(4-bromophenyl)methyl]pyridine-3-carbaldehyde
CAS No: 2060057-06-7 Catalog No: AG01BVYH MDL No:MFCD30476590
Product Description
Catalog Number:
AG01BVYH
Chemical Name:
2-[(4-bromophenyl)methyl]pyridine-3-carbaldehyde
CAS Number:
2060057-06-7
Molecular Formula:
C13H10BrNO
Molecular Weight:
276.1286
MDL Number:
MFCD30476590
IUPAC Name:
2-[(4-bromophenyl)methyl]pyridine-3-carbaldehyde
InChI:
InChI=1S/C13H10BrNO/c14-12-5-3-10(4-6-12)8-13-11(9-16)2-1-7-15-13/h1-7,9H,8H2
InChI Key:
IQHDAEAQZLZWTB-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1Cc1ccc(cc1)Br
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.133g/mol
Monoisotopic Mass:
274.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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