200,000+ products from a single source!
sales@angenechem.com
1375064-68-8 | Benzoic acid, 2-amino-4-(1H-pyrazol-1-yl)-, ethyl ester
CAS No: 1375064-68-8 Catalog No: AG0013ER MDL No:MFCD22205850
Product Description
Catalog Number:
AG0013ER
Chemical Name:
Benzoic acid, 2-amino-4-(1H-pyrazol-1-yl)-, ethyl ester
CAS Number:
1375064-68-8
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD22205850
IUPAC Name:
ethyl 2-amino-4-pyrazol-1-ylbenzoate
InChI:
InChI=1S/C12H13N3O2/c1-2-17-12(16)10-5-4-9(8-11(10)13)15-7-3-6-14-15/h3-8H,2,13H2,1H3
InChI Key:
SRCSLEISLZCLAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1N)n1cccn1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.