Name: Name:1-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-amine
Brand: Angene
SKU: AG01A82I
Rating: 90 (10 reviews)

1-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-amine

CAS No.:

1183190-06-8

Catalog Number:

AG01A82I

Molecular Formula:

C9H9BrN4

Molecular Weight:

253.0986

Catalog Number:

AG01A82I

Chemical Name:

1-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-amine

CAS Number:

1183190-06-8

Molecular Formula:

C9H9BrN4

Molecular Weight:

253.0986

MDL Number:

MFCD12766718

IUPAC Name:

1-[(3-bromophenyl)methyl]-1,2,4-triazol-3-amine

InChI:

InChI=1S/C9H9BrN4/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2,(H2,11,13)

InChI Key:

ITWGGPFHTNCDMS-UHFFFAOYSA-N

SMILES:

Brc1cccc(c1)Cn1cnc(n1)N

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.001g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.103g/mol

Monoisotopic Mass:

252.001g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9