Name: Name:1H-Pyrazole-3-carboxylic acid, 5-amino-4-bromo-1-methyl-, ethyl ester
Brand: Angene
SKU: AG000EB2
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylic acid, 5-amino-4-bromo-1-methyl-, ethyl ester

CAS No.:

1174305-82-8

Catalog Number:

AG000EB2

Molecular Formula:

C7H10BrN3O2

Molecular Weight:

248.0772

Catalog Number:

AG000EB2

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 5-amino-4-bromo-1-methyl-, ethyl ester

CAS Number:

1174305-82-8

Molecular Formula:

C7H10BrN3O2

Molecular Weight:

248.0772

MDL Number:

MFCD11107473

IUPAC Name:

ethyl 5-amino-4-bromo-1-methylpyrazole-3-carboxylate

InChI:

InChI=1S/C7H10BrN3O2/c1-3-13-7(12)5-4(8)6(9)11(2)10-5/h3,9H2,1-2H3

InChI Key:

NSSBDZHCWARRIN-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(c(c1Br)N)C

Complexity:

202

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.08g/mol

Monoisotopic Mass:

246.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1