3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID
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3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID
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CAS No:
117186-02-4
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Formula:
C9H7F3O2
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Chemical Name:
3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID
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Synonyms:
3-Carboxy-5-methylbenzotrifluoride; 3-METHYL-5-TRIFLUOROMETHYLBENZOIC ACID;
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CAS No:
3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID Basic Attributes
204.14600
204.03981395
DTXSID10379597
2916399090
Safety Information
R36/37/38
S26
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:204.15
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:204.03981395
Monoisotopic Mass:204.03981395
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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