Home Other Building Blocks 2-CHLORO-5H,6H,7H,8H,9H-CYCLOHEPTA[D]PYRIMIDINE

2-CHLORO-5H,6H,7H,8H,9H-CYCLOHEPTA[D]PYRIMIDINE

CAS No.:
83939-62-2
Catalog Number:
AG01E1QQ
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
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Product Description
Catalog Number:
AG01E1QQ
Chemical Name:
2-CHLORO-5H,6H,7H,8H,9H-CYCLOHEPTA[D]PYRIMIDINE
CAS Number:
83939-62-2
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
MDL Number:
MFCD19443840
IUPAC Name:
2-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
InChI:
InChI=1S/C9H11ClN2/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5H2
InChI Key:
VTYCFJKSUOIBOT-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(n1)CCCCC2
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.651g/mol
Monoisotopic Mass:
182.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties