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2059975-53-8 | 3-(3-fluorophenyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS No: 2059975-53-8 Catalog No: AG01BPAA MDL No:MFCD30500014
Product Description
Catalog Number:
AG01BPAA
Chemical Name:
3-(3-fluorophenyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS Number:
2059975-53-8
Molecular Formula:
C12H10FNO
Molecular Weight:
203.2123
MDL Number:
MFCD30500014
IUPAC Name:
3-(3-fluorophenyl)-1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H10FNO/c1-14-6-5-11(12(14)8-15)9-3-2-4-10(13)7-9/h2-8H,1H3
InChI Key:
IRSSCQCZYLCLCT-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ccc1c1cccc(c1)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.216g/mol
Monoisotopic Mass:
203.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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