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rel-[(1R,2S)-2-Isocyanatocyclopropyl]benzene

rel-[(1R,2S)-2-Isocyanatocyclopropyl]benzene structure

CAS No:
35019-96-6
Formula:
C10H9NO
Chemical Name:
rel-[(1R,2S)-2-Isocyanatocyclopropyl]benzene
Synonyms:
Benzene,[(1R,2S)-2-isocyanatocyclopropyl]-,rel-;Benzene,(2-isocyanatocyclopropyl)-,trans-(±)-;rel-[(1R,2S)-2-Isocyanatocyclopropyl]benzene;Benzene,(2-isocyanatocyclopropyl)-,trans-;trans-2-Phenylcyclopropyl isocyanate;NSC 80668;107734-27-0;63009-74-5

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rel-[(1R,2S)-2-Isocyanatocyclopropyl]benzene Basic Attributes

Molecular Weight：

159.18 g/mol

Exact Mass：

159.18

NSC Number：

80668

DSSTox ID：

DTXSID30188542

Characteristics

PSA：

29.4 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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:159.18
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:12
Complexity:202
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-[(1R,2S)-2-Isocyanatocyclopropyl]benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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