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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-iodobenzoate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-iodobenzoate structure

CAS No:
454455-63-1
Formula:
C18H12IN3O3
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-iodobenzoate
Synonyms:
ZINC3279258;Z18328029;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 2-iodobenzoate;454455-63-1

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-iodobenzoate Basic Attributes

Molecular Weight：

445.2 g/mol

Exact Mass：

444.99234 g/mol

Characteristics

PSA：

99 Å²

Computed Properties

Molecular Weight:445.2
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:444.99234
Monoisotopic Mass:444.99234
Topological Polar Surface Area:99
Heavy Atom Count:25
Complexity:585
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-iodobenzoate

Basic Attributes
Characteristics
Computed Properties
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