Home Nitros 2-[2-(2-nitrophenyl)ethyl]benzoic acid

2-[2-(2-nitrophenyl)ethyl]benzoic acid

CAS No.:
1803593-67-0
Catalog Number:
AG01BFSG
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
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Product Description
Catalog Number:
AG01BFSG
Chemical Name:
2-[2-(2-nitrophenyl)ethyl]benzoic acid
CAS Number:
1803593-67-0
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
MDL Number:
MFCD28118709
IUPAC Name:
2-[2-(2-nitrophenyl)ethyl]benzoic acid
InChI:
InChI=1S/C15H13NO4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2,(H,17,18)
InChI Key:
ZZLIJHXVHNIKHF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties