propyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
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propyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
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CAS No:
305867-00-9
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Formula:
C14H12BrNO4
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Chemical Name:
propyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
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Synonyms:
ZINC2199250;STL334390;AKOS000650633;SR-01000315713;SR-01000315713-1;propyl (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate;305867-00-9
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CAS No:
propyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Basic Attributes
338.15 g/mol
336.99497 g/mol
Computed Properties
Molecular Weight:338.15
XLogP3:3.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:336.99497
Monoisotopic Mass:336.99497
Topological Polar Surface Area:68.6
Heavy Atom Count:20
Complexity:442
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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