Name: Name:1-(4-chloro-1H-pyrrole-2-carbonyl)-1,4-diazepane
Brand: Angene
SKU: AG01A8O2
Rating: 90 (10 reviews)

1-(4-chloro-1H-pyrrole-2-carbonyl)-1,4-diazepane

CAS No.:

1038213-92-1

Catalog Number:

AG01A8O2

Molecular Formula:

C10H14ClN3O

Molecular Weight:

227.6907

Catalog Number:

AG01A8O2

Chemical Name:

1-(4-chloro-1H-pyrrole-2-carbonyl)-1,4-diazepane

CAS Number:

1038213-92-1

Molecular Formula:

C10H14ClN3O

Molecular Weight:

227.6907

MDL Number:

MFCD11167908

IUPAC Name:

(4-chloro-1H-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone

InChI:

InChI=1S/C10H14ClN3O/c11-8-6-9(13-7-8)10(15)14-4-1-2-12-3-5-14/h6-7,12-13H,1-5H2

InChI Key:

UWGRLVKDVVGDFF-UHFFFAOYSA-N

SMILES:

Clc1c[nH]c(c1)C(=O)N1CCNCCC1

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.692g/mol

Monoisotopic Mass:

227.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8