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76874-79-8 | 2-Amino-4-chlorothiazole-5-carbaldehyde
CAS No: 76874-79-8 Catalog No: AG008OOG MDL No:MFCD00204993
Product Description
Catalog Number:
AG008OOG
Chemical Name:
2-Amino-4-chlorothiazole-5-carbaldehyde
CAS Number:
76874-79-8
Molecular Formula:
C4H3ClN2OS
Molecular Weight:
162.5974
MDL Number:
MFCD00204993
IUPAC Name:
2-amino-4-chloro-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C4H3ClN2OS/c5-3-2(1-8)9-4(6)7-3/h1H,(H2,6,7)
InChI Key:
KJRBYUWRYRRPKN-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.591g/mol
Monoisotopic Mass:
161.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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