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813445-31-7 | CarbaMic acid, N-(4-Methyl-2-thiazolyl)-, phenyl ester
CAS No: 813445-31-7 Catalog No: AG00G3NX MDL No:
Product Description
Catalog Number:
AG00G3NX
Chemical Name:
CarbaMic acid, N-(4-Methyl-2-thiazolyl)-, phenyl ester
CAS Number:
813445-31-7
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
IUPAC Name:
phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
InChI:
InChI=1S/C11H10N2O2S/c1-8-7-16-10(12-8)13-11(14)15-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)
InChI Key:
PAYDFOVMXTZFEP-UHFFFAOYSA-N
SMILES:
O=C(Nc1scc(n1)C)Oc1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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