200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87740-04-3
87740-04-3 | Benzoic acid, 4-[(3-nitrophenoxy)methyl]-
CAS No: 87740-04-3 Catalog No: AG004G7D MDL No:
Product Description
Catalog Number:
AG004G7D
Chemical Name:
Benzoic acid, 4-[(3-nitrophenoxy)methyl]-
CAS Number:
87740-04-3
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
IUPAC Name:
4-[(3-nitrophenoxy)methyl]benzoic acid
InChI:
InChI=1S/C14H11NO5/c16-14(17)11-6-4-10(5-7-11)9-20-13-3-1-2-12(8-13)15(18)19/h1-8H,9H2,(H,16,17)
InChI Key:
WUHJFTAAAXUKNM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OCc1ccc(cc1)C(=O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.