Name: Name:methyl 1-[(4-ethylphenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
Brand: Angene
SKU: AG01BD28
Rating: 90 (10 reviews)

methyl 1-[(4-ethylphenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

CAS No.:

1803605-03-9

Catalog Number:

AG01BD28

Molecular Formula:

C14H17N3O2

Molecular Weight:

259.3037

Catalog Number:

AG01BD28

Chemical Name:

methyl 1-[(4-ethylphenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

CAS Number:

1803605-03-9

Molecular Formula:

C14H17N3O2

Molecular Weight:

259.3037

MDL Number:

MFCD28012388

IUPAC Name:

methyl 1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxylate

InChI:

InChI=1S/C14H17N3O2/c1-4-11-5-7-12(8-6-11)9-17-10(2)13(15-16-17)14(18)19-3/h5-8H,4,9H2,1-3H3

InChI Key:

YXVJLUDBRPIKSK-UHFFFAOYSA-N

SMILES:

COC(=O)c1nnn(c1C)Cc1ccc(cc1)CC

Complexity:

303

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.309g/mol

Monoisotopic Mass:

259.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7