Name: Name:3-bromo-4-nitro-1-(propan-2-yl)-1H-pyrazole
Brand: Angene
SKU: AG01ELHM
Rating: 90 (10 reviews)

3-bromo-4-nitro-1-(propan-2-yl)-1H-pyrazole

CAS No.:

2054953-81-8

Catalog Number:

AG01ELHM

Molecular Formula:

C6H8BrN3O2

Molecular Weight:

234.0506

Catalog Number:

AG01ELHM

Chemical Name:

3-bromo-4-nitro-1-(propan-2-yl)-1H-pyrazole

CAS Number:

2054953-81-8

Molecular Formula:

C6H8BrN3O2

Molecular Weight:

234.0506

MDL Number:

MFCD31417519

IUPAC Name:

3-bromo-4-nitro-1-propan-2-ylpyrazole

InChI:

InChI=1S/C6H8BrN3O2/c1-4(2)9-3-5(10(11)12)6(7)8-9/h3-4H,1-2H3

InChI Key:

ZJGIGXSCPAFDNS-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cn(nc1Br)C(C)C

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.053g/mol

Monoisotopic Mass:

232.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8