(4-Chloro-2-methyl-3,5-dinitrophenyl)methanol - CAS 72908-02-2
Catalog: |
BB069865 |
Product Name: |
(4-Chloro-2-methyl-3,5-dinitrophenyl)methanol |
CAS: |
72908-02-2 |
Synonyms: |
(4-chloro-2-methyl-3,5-dinitrophenyl)methanol; 4-chloro-2-methyl-3,5-dinitrobenzyl alcohol |
IUPAC Name: | (4-chloro-2-methyl-3,5-dinitrophenyl)methanol |
Description: | (4-chloro-2-methyl-3,5-dinitrophenyl)methanol (cas# 72908-02-2) is a useful research chemical. |
Molecular Weight: | 246.6 |
Molecular Formula: | C8H7N2O5Cl |
Canonical SMILES: | CC1=C(C(=C(C=C1CO)[N+](=O)[O-])Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7ClN2O5/c1-4-5(3-12)2-6(10(13)14)7(9)8(4)11(15)16/h2,12H,3H2,1H3 |
InChI Key: | SJNNZMBYMXBMSS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.004349 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.004349 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 112Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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