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2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile

2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile structure

CAS No:
945367-11-3
Formula:
C15H11N3O4
Chemical Name:
2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile
Synonyms:
2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile;945367-11-3;CTK7C7242;ALBB-004890;ZINC6345701;STK501357;AKOS005171438

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2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile Basic Attributes

Molecular Weight：

297.26554

Exact Mass：

297.075

Characteristics

PSA：

100

XLogP3：

3.3

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:297.26
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:297.07495584
Monoisotopic Mass:297.07495584
Topological Polar Surface Area:100
Heavy Atom Count:22
Complexity:457
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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