Name: Name:4-chloro-5H,6H,7H,8H,9H-pyrimido[4,5-b]azepine
Brand: Angene
SKU: AG01EL6H
Rating: 90 (10 reviews)

4-chloro-5H,6H,7H,8H,9H-pyrimido[4,5-b]azepine

CAS No.:

16372-20-6

Catalog Number:

AG01EL6H

Molecular Formula:

C8H10ClN3

Molecular Weight:

183.6381

Catalog Number:

AG01EL6H

Chemical Name:

4-chloro-5H,6H,7H,8H,9H-pyrimido[4,5-b]azepine

CAS Number:

16372-20-6

Molecular Formula:

C8H10ClN3

Molecular Weight:

183.6381

MDL Number:

MFCD20671137

IUPAC Name:

4-chloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepine

InChI:

InChI=1S/C8H10ClN3/c9-7-6-3-1-2-4-10-8(6)12-5-11-7/h5H,1-4H2,(H,10,11,12)

InChI Key:

UGHFOBAAXNQDSS-UHFFFAOYSA-N

SMILES:

Clc1ncnc2c1CCCCN2

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.639g/mol

Monoisotopic Mass:

183.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2