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2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile

2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile structure

CAS No:
99972-15-3
Formula:
C11H7BrN2O2
Chemical Name:
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
Synonyms:
99972-15-3;2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile;MALONONITRILE, 5-BROMOVANILLYLIDENE-;2-(3-bromo-4-hydroxy-5-methoxybenzylidene)malononitrile;BRN 3324020;5-Bromo vanillylidenemalononitrile;5-BROMOVANILLYLIDENEMALONONITRILE;4-10-00-02306 (Beilstein Handbook Reference);CHEMBL77298;BDBM4334;SCHEMBL4328828;DTXSID80244364;ZINC283348;MCK102958;AKOS002952031;MCULE-6915371890;benzylidenemalononitrile (BMN) deriv. 18;SR-01000202944;3-Bromo-4-hydroxy-5-methoxybenzylidene-malononitrile;SR-01000202944-1

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2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile Basic Attributes

Molecular Weight：

279.09 g/mol

Exact Mass：

277.96909 g/mol

DSSTox ID：

DTXSID80244364

Characteristics

PSA：

77 Å²

Computed Properties

Molecular Weight:279.09
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:277.96909
Monoisotopic Mass:277.96909
Topological Polar Surface Area:77
Heavy Atom Count:16
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile

Basic Attributes
Characteristics
Computed Properties

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