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1050556-38-1 | 3-(2-Aminothiazol-4-yl)phenol hydrochloride
CAS No: 1050556-38-1 Catalog No: AG003I01 MDL No:MFCD08582775
Product Description
Catalog Number:
AG003I01
Chemical Name:
3-(2-Aminothiazol-4-yl)phenol hydrochloride
CAS Number:
1050556-38-1
Molecular Formula:
C9H9ClN2OS
Molecular Weight:
228.6986
MDL Number:
MFCD08582775
IUPAC Name:
3-(2-amino-1,3-thiazol-4-yl)phenol;hydrochloride
InChI:
InChI=1S/C9H8N2OS.ClH/c10-9-11-8(5-13-9)6-2-1-3-7(12)4-6;/h1-5,12H,(H2,10,11);1H
InChI Key:
NJQDMVOVOWVSPZ-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1csc(n1)N.Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.694g/mol
Monoisotopic Mass:
228.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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