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Home > Nitro Compounds > 1380099-54-6
1380099-54-6 | 4-NITRO-3-(PYRROLIDIN-1-YL)BENZOIC ACID
CAS No: 1380099-54-6 Catalog No: AG01DM9U MDL No:
Product Description
Catalog Number:
AG01DM9U
Chemical Name:
4-NITRO-3-(PYRROLIDIN-1-YL)BENZOIC ACID
CAS Number:
1380099-54-6
IUPAC Name:
4-nitro-3-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12N2O4/c14-11(15)8-3-4-9(13(16)17)10(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:
HAYQXOQBFWZINR-UHFFFAOYSA-N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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