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1,3,3-trinitrobutan-2-ylbenzene

1,3,3-trinitrobutan-2-ylbenzene structure

CAS No:
5437-74-1
Formula:
C10H11N3O6
Chemical Name:
1,3,3-trinitrobutan-2-ylbenzene
Synonyms:
Benzene,[2,2-dinitro-1-(nitromethyl)propyl]-;1,3,3-trinitrobutan-2-ylbenzene;NSC16195;CTK5A0742;DTXSID10280275;NSC-16195;DS-006692

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1,3,3-trinitrobutan-2-ylbenzene Basic Attributes

Molecular Weight：

269.213

Exact Mass：

269.065

NSC Number：

16195

DSSTox ID：

DTXSID10280275

Characteristics

PSA：

138

XLogP3：

1.9

Computed Properties

Molecular Weight:269.21
XLogP3:1.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:269.06478508
Monoisotopic Mass:269.06478508
Topological Polar Surface Area:138
Heavy Atom Count:19
Complexity:349
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,3-trinitrobutan-2-ylbenzene

Basic Attributes
Characteristics
Computed Properties

1,3,3-trinitrobutan-2-ylbenzene

SDS

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