Name: Name:methyl 4-bromo-5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG01BB2K
Rating: 90 (10 reviews)

methyl 4-bromo-5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylate

CAS No.:

1247688-02-3

Catalog Number:

AG01BB2K

Molecular Formula:

C9H11BrN2O2

Molecular Weight:

259.0998

Catalog Number:

AG01BB2K

Chemical Name:

methyl 4-bromo-5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylate

CAS Number:

1247688-02-3

Molecular Formula:

C9H11BrN2O2

Molecular Weight:

259.0998

MDL Number:

MFCD16702679

IUPAC Name:

methyl 4-bromo-5-cyclopropyl-1-methylpyrazole-3-carboxylate

InChI:

InChI=1S/C9H11BrN2O2/c1-12-8(5-3-4-5)6(10)7(11-12)9(13)14-2/h5H,3-4H2,1-2H3

InChI Key:

NAUAWSOZDQRWCQ-UHFFFAOYSA-N

SMILES:

COC(=O)c1nn(c(c1Br)C1CC1)C

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.103g/mol

Monoisotopic Mass:

258g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7