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Home > Nitro Compounds > 87740-05-4
87740-05-4 | Benzoic acid, 4-[(4-nitrophenoxy)methyl]-
CAS No: 87740-05-4 Catalog No: AG004LNQ MDL No:MFCD03303604
Product Description
Catalog Number:
AG004LNQ
Chemical Name:
Benzoic acid, 4-[(4-nitrophenoxy)methyl]-
CAS Number:
87740-05-4
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD03303604
IUPAC Name:
4-[(4-nitrophenoxy)methyl]benzoic acid
InChI:
InChI=1S/C14H11NO5/c16-14(17)11-3-1-10(2-4-11)9-20-13-7-5-12(6-8-13)15(18)19/h1-8H,9H2,(H,16,17)
InChI Key:
OJGWJMNQVVFIIN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
338
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
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