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Home > Nitro Compounds > 2900-63-2
2900-63-2 | Benzoic acid, 3,5-dinitro-, hydrazide
CAS No: 2900-63-2 Catalog No: AG002V6Y MDL No:MFCD00017060
Product Description
Catalog Number:
AG002V6Y
Chemical Name:
Benzoic acid, 3,5-dinitro-, hydrazide
CAS Number:
2900-63-2
Molecular Formula:
C7H6N4O5
Molecular Weight:
226.1463
MDL Number:
MFCD00017060
IUPAC Name:
3,5-dinitrobenzohydrazide
InChI:
InChI=1S/C7H6N4O5/c8-9-7(12)4-1-5(10(13)14)3-6(2-4)11(15)16/h1-3H,8H2,(H,9,12)
InChI Key:
IJVPILVRNBBRSO-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
220-790-2
NSC Number:
87798
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.148g/mol
Monoisotopic Mass:
226.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Metabolism and excretion of the novel bioreductive prodrug PR-104 in mice, rats, dogs, and humans. | Drug metabolism and disposition: the biological fate of chemicals 20100301 |
| Mechanism of action and preclinical antitumor activity of the novel hypoxia-activated DNA cross-linking agent PR-104. | Clinical cancer research : an official journal of the American Association for Cancer Research 20070701 |
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