butan-2-yl 4,4,4-trinitrobutanoate
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butan-2-yl 4,4,4-trinitrobutanoate
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CAS No:
13012-99-2
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Formula:
C8H13N3O8
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Chemical Name:
butan-2-yl 4,4,4-trinitrobutanoate
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Synonyms:
13012-99-2;4,4,4-Trinitrobutyric acid sec-butyl ester;butan-2-yl 4,4,4-trinitrobutanoate;BUTYRIC ACID, 4,4,4-TRINITRO-, sec-BUTYL ESTER;DTXSID30926608
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CAS No:
Computed Properties
Molecular Weight:279.20
XLogP3:1.5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:279.07026438
Monoisotopic Mass:279.07026438
Topological Polar Surface Area:164
Heavy Atom Count:19
Complexity:343
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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