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Home > Aldehydes > 1318133-04-8
1318133-04-8 | Thieno[3,2-d]pyrimidine-7-carboxaldehyde, 4-chloro-
CAS No: 1318133-04-8 Catalog No: AG000ZR5 MDL No:
Product Description
Catalog Number:
AG000ZR5
Chemical Name:
Thieno[3,2-d]pyrimidine-7-carboxaldehyde, 4-chloro-
CAS Number:
1318133-04-8
Molecular Formula:
C7H3ClN2OS
Molecular Weight:
198.6295
IUPAC Name:
4-chlorothieno[3,2-d]pyrimidine-7-carbaldehyde
InChI:
InChI=1S/C7H3ClN2OS/c8-7-6-5(9-3-10-7)4(1-11)2-12-6/h1-3H
InChI Key:
HLWWRYUSEGPAGM-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1scc2C=O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.624g/mol
Monoisotopic Mass:
197.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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