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20271-37-8 | 1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
CAS No: 20271-37-8 Catalog No: AG0028DL MDL No:
Product Description
Catalog Number:
AG0028DL
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
CAS Number:
20271-37-8
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
IUPAC Name:
ethyl 5-amino-1-phenyltriazole-4-carboxylate
InChI:
InChI=1S/C11H12N4O2/c1-2-17-11(16)9-10(12)15(14-13-9)8-6-4-3-5-7-8/h3-7H,2,12H2,1H3
InChI Key:
JTZPCFZHFOAHBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnn(c1N)c1ccccc1
NSC Number:
76220
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.243g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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