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Home > Nitro Compounds > 332163-18-5
332163-18-5 | 3-Nitro-benzoic acid 3-tetrazol-1-yl-phenyl ester
CAS No: 332163-18-5 Catalog No: AG01EV6R MDL No:
Product Description
Catalog Number:
AG01EV6R
Chemical Name:
3-Nitro-benzoic acid 3-tetrazol-1-yl-phenyl ester
CAS Number:
332163-18-5
Molecular Formula:
C14H9N5O4
Molecular Weight:
311.2524
IUPAC Name:
[3-(tetrazol-1-yl)phenyl] 3-nitrobenzoate
InChI:
InChI=1S/C14H9N5O4/c20-14(10-3-1-5-12(7-10)19(21)22)23-13-6-2-4-11(8-13)18-9-15-16-17-18/h1-9H
InChI Key:
VKHALTQJTPAKPR-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Oc1cccc(c1)n1cnnn1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.065g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.257g/mol
Monoisotopic Mass:
311.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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