Home Halogens 8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

CAS No.:
1016734-79-4
Catalog Number:
AG0096BL
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0096BL
Chemical Name:
8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CAS Number:
1016734-79-4
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
MDL Number:
MFCD09805187
IUPAC Name:
8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
InChI:
InChI=1S/C10H12BrNO/c11-7-3-4-8-9(12)2-1-5-13-10(8)6-7/h3-4,6,9H,1-2,5,12H2
InChI Key:
YOQXSJZQVXGFQD-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCCCC2N
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.116g/mol
Monoisotopic Mass:
241.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties