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ethyl 4-[acetyl-(4-amino-3-oxobutyl)amino]benzoate;2,4,6-trinitrophenol

ethyl 4-[acetyl-(4-amino-3-oxobutyl)amino]benzoate;2,4,6-trinitrophenol structure

CAS No:
4788-65-2
Formula:
C21H23N5O11
Chemical Name:
ethyl 4-[acetyl-(4-amino-3-oxobutyl)amino]benzoate;2,4,6-trinitrophenol
Synonyms:
4788-65-2;ethyl 4-[acetyl(4-amino-3-oxobutyl)amino]benzoate- 2,4,6-trinitrophenol(1:1);NSC107441;DTXSID90296071;NSC-107441;DS-001340;Ethyl 4-[acetyl-(4-amino-3-oxo-butyl)amino]benzoate

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ethyl 4-[acetyl-(4-amino-3-oxobutyl)amino]benzoate;2,4,6-trinitrophenol Basic Attributes

Molecular Weight：

521.4 g/mol

Exact Mass：

521.13940657 g/mol

NSC Number：

107441

DSSTox ID：

DTXSID90296071

Characteristics

PSA：

247 Å²

Computed Properties

Molecular Weight:521.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:521.13940657
Monoisotopic Mass:521.13940657
Topological Polar Surface Area:247
Heavy Atom Count:37
Complexity:667
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[acetyl-(4-amino-3-oxobutyl)amino]benzoate;2,4,6-trinitrophenol

Basic Attributes
Characteristics
Computed Properties
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