Home Other Building Blocks 5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

CAS No.:
1017394-91-0
Catalog Number:
AG019W18
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
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Product Description
Catalog Number:
AG019W18
Chemical Name:
5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CAS Number:
1017394-91-0
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD09901382
IUPAC Name:
5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
InChI:
InChI=1S/C10H13NO/c1-8-9-4-2-3-5-10(9)12-7-6-11-8/h2-5,8,11H,6-7H2,1H3
InChI Key:
BDMKKDLAKZPRIO-UHFFFAOYSA-N
SMILES:
CC1NCCOc2c1cccc2
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties