Home Other Building Blocks methyl 4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoate

methyl 4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoate

CAS No.:
932978-27-3
Catalog Number:
AG01C5BG
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
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Product Description
Catalog Number:
AG01C5BG
Chemical Name:
methyl 4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoate
CAS Number:
932978-27-3
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
MDL Number:
MFCD09961930
IUPAC Name:
methyl 4-(5-methyltetrazol-1-yl)benzoate
InChI:
InChI=1S/C10H10N4O2/c1-7-11-12-13-14(7)9-5-3-8(4-6-9)10(15)16-2/h3-6H,1-2H3
InChI Key:
NENRSUDXRPALHD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)n1nnnc1C
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties