Home Other Building Blocks 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

CAS No.:
313673-94-8
Catalog Number:
AG007JQ0
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
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Product Description
Catalog Number:
AG007JQ0
Chemical Name:
7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine
CAS Number:
313673-94-8
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
MDL Number:
MFCD09026493
IUPAC Name:
7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepine
InChI:
InChI=1S/C10H12ClN/c11-9-4-5-10-8(7-9)3-1-2-6-12-10/h4-5,7,12H,1-3,6H2
InChI Key:
FMZMCEKXCHBLKI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CCCCN2
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.066g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.663g/mol
Monoisotopic Mass:
181.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties