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3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOICACID

3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOICACID structure

CAS No:
92109-03-0
Formula:
C13H16N2O4
Chemical Name:
3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOICACID
Synonyms:
4-(azepan-1-yl)-3-nitrobenzoic acid;3-Nitro-4-(hexamethyleneimin-1-yl)benzoic acid;4-azepan-1-yl-3-nitrobenzoic acid;4-Azepan-1-yl-3-nitro-benzoic acid;Oprea1_543044;SCHEMBL2773181;CTK5I2611;DTXSID80387927;ZINC3884578;3255AF

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3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOICACID Basic Attributes

Molecular Weight：

264.27700

Exact Mass：

264.11100

DSSTox ID：

DTXSID80387927

HScode：

2916399090

Characteristics

PSA：

86.36000

XLogP3：

3.26160

Density：

1.296g/cm3

Boiling Point：

462ºC at 760mmHg

Flash Point：

233.2ºC

Refractive Index：

1.593

Safety Information

Marks：

Xi: Irritant;

Computed Properties

Molecular Weight:264.28
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:264.11100700
Monoisotopic Mass:264.11100700
Topological Polar Surface Area:86.4
Heavy Atom Count:19
Complexity:334
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOICACID

SDS

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