5-Bromobenzene-1,2,3-triamine

CAT: 0127-OR1066873-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1066873-01Size:50 mg

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CAS Number

1121586-23-9

MDL Number

MFCD11111890

Purity

95%

Smiles

NC1=CC(Br)=CC(N)=C1N

Chemical Information

5-Bromobenzene-1,2,3-triamine

CAS Number	1121586-23-9
PubChem CID	53414190
IUPAC Name	5-bromobenzene-1,2,3-triamine
Molecular Formula	C6H8BrN3
Molecular Weight	202.05
XLogP	0.6
Topological Polar Surface Area	78.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

C1=C(C=C(C(=C1N)N)N)Br

InChI

InChI=1S/C6H8BrN3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,8-10H2

InChIKey

LKRYFTWIURQFJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1121586-23-9

CID: 53414190

Formula: C6H8BrN3

MW: 202.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.05
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	200.99016
Monoisotopic Mass	200.99016
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP06644-01	2-broMobenzene-1,3,5-triol
OR93958-01	2-Bromobenzene-1,3,5-triol
OR305534-01	5-Bromobenzene-1,2,3-triol
OR1064062	1,3,5-Triazine-2,4,6-triamine xhydrobromide
OR1066514-01	5-Bromobenzene-1,3-dithiol
OR46062-01	5-Bromobenzene-1,3-diamine
OR1040953-01	2-Bromobenzene-1,3,5-tricarboxylic acid
OR015047-01	N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine
OR1014210-01	N2-Butyl-1,3,5-Triazine-2,4,6-Triamine
OR1055883	Benzene-1,2,3-triamine

Catalog	Name
RG-P022566-01	Benzene-1,3,5-Triamine
MBS3617981-01	2-broMobenzene-1,3,5-triol
B553835	[1,1’-Biphenyl]-2,2',5-triamine
RG-P022567-01	Benzene-1,2,3-Triamine
sc-308854	2,4,6-Trimethylbenzene-1,3,5-triamine
BDA24180-01	3-Bromobenzene-1,2-dicarbonitrile
FB144040-01	3-Bromobenzene-1,2-diamine
B680151	Bromobenzene-2,3,5,6-d4
YCA03518-01	5-Acetyl-2-bromobenzene-1-sulfonamide
sc-251576	1,3-Bis (trifluoromethyl) -5-bromobenzene