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18791-78-1 | 3-Thiophenecarboxaldehyde, 4-bromo-
CAS No: 18791-78-1 Catalog No: AG002GKU MDL No:MFCD01318960
Product Description
Catalog Number:
AG002GKU
Chemical Name:
3-Thiophenecarboxaldehyde, 4-bromo-
CAS Number:
18791-78-1
Molecular Formula:
C5H3BrOS
Molecular Weight:
191.0457
MDL Number:
MFCD01318960
IUPAC Name:
4-bromothiophene-3-carbaldehyde
InChI:
InChI=1S/C5H3BrOS/c6-5-3-8-2-4(5)1-7/h1-3H
InChI Key:
ZDVHJQOCVBTMOF-UHFFFAOYSA-N
SMILES:
Brc1cscc1C=O
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.909g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.042g/mol
Monoisotopic Mass:
189.909g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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