Name: Name:1H-Pyrazole-3-carboxylicacid,5-amino-4-bromo-(9CI)
Brand: Angene
SKU: AG00CXRT
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylicacid,5-amino-4-bromo-(9CI)

CAS No.:

351990-74-4

Catalog Number:

AG00CXRT

Molecular Formula:

C4H4BrN3O2

Molecular Weight:

205.9975

Catalog Number:

AG00CXRT

Chemical Name:

1H-Pyrazole-3-carboxylicacid,5-amino-4-bromo-(9CI)

CAS Number:

351990-74-4

Molecular Formula:

C4H4BrN3O2

Molecular Weight:

205.9975

MDL Number:

MFCD01528032

IUPAC Name:

3-amino-4-bromo-1H-pyrazole-5-carboxylic acid

InChI:

InChI=1S/C4H4BrN3O2/c5-1-2(4(9)10)7-8-3(1)6/h(H,9,10)(H3,6,7,8)

InChI Key:

SCEKKLHVSKHWEY-UHFFFAOYSA-N

SMILES:

OC(=O)c1[nH]nc(c1Br)N

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.949g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.999g/mol

Monoisotopic Mass:

204.949g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4