Name: Name:methyl 2-bromo-1H-1,3-benzodiazole-6-carboxylate
Brand: Angene
SKU: AG01EL9C
Rating: 90 (10 reviews)

methyl 2-bromo-1H-1,3-benzodiazole-6-carboxylate

CAS No.:

1092286-70-8

Catalog Number:

AG01EL9C

Molecular Formula:

C9H7BrN2O2

Molecular Weight:

255.0681

Catalog Number:

AG01EL9C

Chemical Name:

methyl 2-bromo-1H-1,3-benzodiazole-6-carboxylate

CAS Number:

1092286-70-8

Molecular Formula:

C9H7BrN2O2

Molecular Weight:

255.0681

MDL Number:

MFCD13176842

IUPAC Name:

methyl 2-bromo-3H-benzimidazole-5-carboxylate

InChI:

InChI=1S/C9H7BrN2O2/c1-14-8(13)5-2-3-6-7(4-5)12-9(10)11-6/h2-4H,1H3,(H,11,12)

InChI Key:

SJQDLFZJEDNQNL-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1)[nH]c(n2)Br

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.071g/mol

Monoisotopic Mass:

253.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4