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87102-64-5

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Basic Information
CAS No.: 87102-64-5
Name: rac-1-Azido-3-(1-naphthalenyloxy)-2-propanol
Article Data: 5
Molecular Structure:
Molecular Structure of 87102-64-5 (rac-1-Azido-3-(1-naphthalenyloxy)-2-propanol)
Formula: C13H13N3O2
Molecular Weight: 243.265
Synonyms: rac-1-Azido-3-(1-naphthalenyloxy)-2-propanol;(+/-)-1-Azido-3-(1-naphthalenyloxy)-2-propanol
PSA: 79.21000
LogP: 2.34256
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Specification

The 2-Propanol, 1-azido-3-(1-naphthalenyloxy)- has CAS registry number 87102-64-5. This chemical's molecular formula is C13H13N3O2 and molecular weight is 243.26. What's more, its systematic name is 1-azido-3-(naphthalen-1-yloxy)propan-2-ol.

Physical properties of 2-Propanol, 1-azido-3-(1-naphthalenyloxy)- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 83; (6)ACD/BCF (pH 7.4): 83; (7)ACD/KOC (pH 5.5): 825; (8)ACD/KOC (pH 7.4): 825; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 41.82 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [N-]=[N+]=N/CC(O)COc2cccc1ccccc12
(2)Std. InChI: InChI=1S/C13H13N3O2/c14-16-15-8-11(17)9-18-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17H,8-9H2
(3)Std. InChIKey: GSSYVTMHROMKAE-UHFFFAOYSA-N