Home Carboxys 4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid benzotriazol-1yl ester

4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid benzotriazol-1yl ester

CAS No.:
77716-16-6
Catalog Number:
AG005G2B
Molecular Formula:
C17H19N5O4
Molecular Weight:
357.3639
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$78
- +
5g
97%
1 week
United States
$203
- +
25g
97%
1 week
United States
$534
- +
Product Description
Catalog Number:
AG005G2B
Chemical Name:
4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid benzotriazol-1yl ester
CAS Number:
77716-16-6
Molecular Formula:
C17H19N5O4
Molecular Weight:
357.3639
MDL Number:
MFCD02179633
IUPAC Name:
benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate
InChI:
InChI=1S/C17H19N5O4/c1-17(2,3)25-16(24)18-11-9-14(21(4)10-11)15(23)26-22-13-8-6-5-7-12(13)19-20-22/h5-10H,1-4H3,(H,18,24)
InChI Key:
UMOAGHPTFVVSHR-UHFFFAOYSA-N
SMILES:
O=C(c1n(C)cc(c1N)C(=O)OC(C)(C)C)On1nnc2c1cccc2
Properties
Complexity:
538  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.144g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
357.37g/mol
Monoisotopic Mass:
357.144g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties