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18791-96-3 | 3-Thiophenecarboxaldehyde, 5-bromo-, oxime
CAS No: 18791-96-3 Catalog No: AG002GKS MDL No:MFCD17169881
Product Description
Catalog Number:
AG002GKS
Chemical Name:
3-Thiophenecarboxaldehyde, 5-bromo-, oxime
CAS Number:
18791-96-3
Molecular Formula:
C5H4BrNOS
Molecular Weight:
206.0604
MDL Number:
MFCD17169881
IUPAC Name:
(NE)-N-[(5-bromothiophen-3-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C5H4BrNOS/c6-5-1-4(2-7-8)3-9-5/h1-3,8H/b7-2+
InChI Key:
WZEHQWLBOVYNNX-FARCUNLSSA-N
SMILES:
ON=Cc1csc(c1)Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
204.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.057g/mol
Monoisotopic Mass:
204.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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