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3-(4-bromoanilino)propanenitrile

3-(4-bromoanilino)propanenitrile structure

CAS No:
98948-13-1
Formula:
C9H9BrN2
Chemical Name:
3-(4-bromoanilino)propanenitrile
Synonyms:
3-(4-bromoanilino)propanenitrile;3-[(4-bromophenyl)amino]propanenitrile;SCHEMBL6093032;ZINC2166006;AKOS001062267;MCULE-9376873727;3-(4-BROMOANILINO)PROPIONITRILE;NCGC00325121-01;98948-13-1;AB01320098-02;Z56855204

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3-(4-bromoanilino)propanenitrile Basic Attributes

Molecular Weight：

225.08 g/mol

Exact Mass：

223.99491 g/mol

Characteristics

PSA：

35.8 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:225.08
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:223.99491
Monoisotopic Mass:223.99491
Topological Polar Surface Area:35.8
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-bromoanilino)propanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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