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467457-03-0 | 5,6,7-trifluoro-1H-indole-3-carbaldehyde
CAS No: 467457-03-0 Catalog No: AG01BTCC MDL No:MFCD30730535
Product Description
Catalog Number:
AG01BTCC
Chemical Name:
5,6,7-trifluoro-1H-indole-3-carbaldehyde
CAS Number:
467457-03-0
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
MDL Number:
MFCD30730535
IUPAC Name:
5,6,7-trifluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H4F3NO/c10-6-1-5-4(3-14)2-13-9(5)8(12)7(6)11/h1-3,13H
InChI Key:
UVMGODGPNAUNJI-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(F)c(c2F)F
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.132g/mol
Monoisotopic Mass:
199.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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