200,000+ products from a single source!
sales@angenechem.com
1260862-42-7 | Benzoic acid, 2-amino-4-nitro-, 1,1-dimethylethyl ester
CAS No: 1260862-42-7 Catalog No: AG000RHY MDL No:
Product Description
Catalog Number:
AG000RHY
Chemical Name:
Benzoic acid, 2-amino-4-nitro-, 1,1-dimethylethyl ester
CAS Number:
1260862-42-7
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
tert-butyl 2-amino-4-nitrobenzoate
InChI:
InChI=1S/C11H14N2O4/c1-11(2,3)17-10(14)8-5-4-7(13(15)16)6-9(8)12/h4-6H,12H2,1-3H3
InChI Key:
VJENZYUFPCZPPJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1N)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.