5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLICACID
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5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLICACID
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CAS No:
6345-55-7
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Formula:
C9H5NO4S
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Chemical Name:
5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLICACID
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Synonyms:
IFLAB-BB F2108-0141;5-nitro-2-benzothiophenecarboxylic acid;5-NITROBENZOTHIOPHENE-2-CARBOXYLIC ACID;5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID;5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID;5-Nitro-1-benzothiophene-2-carboxylic acid, 2-Carboxy-5-nitrobenzo[b]thiophene
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CAS No:
5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLICACID Basic Attributes
223.21
222.99400
43557
DTXSID80286042
2934999090
Safety Information
R36/37/38
S26-S37/39
Xi:Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:223.21
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:222.99392881
Monoisotopic Mass:222.99392881
Topological Polar Surface Area:111
Heavy Atom Count:15
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLICACID
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