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294675-00-6 | 4-Chloro-2-mercaptobezaldehyde
CAS No: 294675-00-6 Catalog No: AG00BEDY MDL No:
Product Description
Catalog Number:
AG00BEDY
Chemical Name:
4-Chloro-2-mercaptobezaldehyde
CAS Number:
294675-00-6
IUPAC Name:
4-chloro-2-sulfanylbenzaldehyde
InChI:
InChI=1S/C7H5ClOS/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChI Key:
HKAIVGPZBMVJGF-UHFFFAOYSA-N
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.626g/mol
Monoisotopic Mass:
171.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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