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4-AMINO-2-(5-ISOPROPYL-1,3-BENZOXAZOL-2-YL)-6-METHYLPHENOL
CAS:
874592-14-0
MW:
282.34
MF:
C17H18N2O2
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
4-AMINO-2-(5-ISOPROPYL-1,3-BENZOXAZOL-2-YL)-6-METHYLPHENOL
1.2 Synonyms
4-AMINO-2-(5-ISOPROPYL-1,3-BENZOXAZOL-2-YL)-6-METHYLPHENOL; AKOS BB-8269; ART-CHEM-BB B025302; ASISCHEM B52515; TIMTEC-BB SBB009785;
1.3 CAS No.
874592-14-0
1.4 CID
135511528
1.5 Molecular Formula
C17H18N2O2
1.6 Inchi
InChI=1S/C17H18N2O2/c1-9(2)11-4-5-15-14(7-11)19-17(21-15)13-8-12(18)6-10(3)16(13)20/h4-9,20H,18H2,1-3H3
1.7 InChkey
YZTPEURXKIGGQF-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=CC(=C1O)C2=NC3=C(O2)C=CC(=C3)C(C)C)N
1.9 Isomers Smiles
CC1=CC(=CC(=C1O)C2=NC3=C(O2)C=CC(=C3)C(C)C)N
2. Computed Properties
Molecular Weight:
282.34g/mol
Molecular Formula:
C
17
H
18
N
2
O
2
Compound Is Canonicalized:
True
Exact Mass:
3.9
XLogP3-AA:
282.136827821
Monoisotopic Mass:
282.136827821
Complexity:
363
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Topological Polar Surface Area:
72.3
Heavy Atom Count::
21
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADQyBngAyxrJIFkCoA6VyVASCiCAvYiAImCG3bNgOJ7bGtbuPeWjn9BHY+Ye8yPCOoEACQAAIEABAgASAABAgAAAAAAAAAA==
3. Toltal 2 Suppliers
View more
AsisChem, Inc.
Tel:
Update Time:
2019/11/25
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TimTec Corporation
Tel:
Update Time:
2019/11/25
inquire
4. Realated Product Infomation
4-AMINO-2-ISOPROPYL-5-METHYLPHENOL
cas:1128-28-5
4-ISOPROPYL-3-METHYLPHENOL
cas:3228-02-2
5-ISOPROPYL-3-METHYLPHENOL
cas:3228-03-3
4-CHLORO-2-ISOPROPYL-5-METHYLPHENOL
cas:89-68-9
2-Isopropyl-4-bromo-5-methylphenol
cas:15062-34-7
2-Chloro-3-Isopropyl-6-Methylphenol
cas:70910-29-1
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Computational chemical data
3.
Toltal 2 Suppliers
4.
Realated Product Infomation
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