BENZOTHIAZOLE-2-CARBOXYLICACID
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BENZOTHIAZOLE-2-CARBOXYLICACID
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CAS No:
3622-04-6
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Formula:
C8H5NO2S
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Chemical Name:
BENZOTHIAZOLE-2-CARBOXYLICACID
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Synonyms:
RARECHEMALBE0472;CHEMBRDG-BB4400806;2-Carboxy-1,3-benzothiazole;2-Benzothiazolecarboxylicacid;BENZOTHIAZOLE-2-CARBOXYLICACID;1,3-benzothiazole-2-carboxylate;BENZO[D]THIAZOLE-2-CARBOXYLICACID;1,3-BENZOTHIAZOLE-2-CARBOXYLICACID;1,2-Benzothiazole-2-carboxylicacid;Benzothiazole-2-carboxylicacid,96%
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CAS No:
Safety Information
IRRITANT
R22;R36/37/38
S26-S36/37/39
Xn:Harmful;
|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:179.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:78.4
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
