2-Bromo-3-fluoro-6-nitroaniline

CAT: 0127-PC51010-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC51010-01Size:1 g

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CAS Number

1218764-80-7

Synonyms

2-Amino-3-bromo-4-fluoronitrobenzene

MDL Number

MFCD18071077

Purity

97%

Smiles

Nc1c(Br)c(F)ccc1[N+](=O)[O-]

Storage Conditions

Store at 2-8°C

Chemical Information

2-Bromo-3-fluoro-6-nitroaniline

CAS Number	1218764-80-7
PubChem CID	19429780
IUPAC Name	2-bromo-3-fluoro-6-nitroaniline
Molecular Formula	C6H4BrFN2O2
Molecular Weight	235.01
XLogP	2.4
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	187

SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])N)Br)F

InChI

InChI=1S/C6H4BrFN2O2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H,9H2

InChIKey

WSVLWVONLAQTJC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1218764-80-7

CID: 19429780

Formula: C6H4BrFN2O2

MW: 235.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.01
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	233.94402
Monoisotopic Mass	233.94402
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	187
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
PC56703-01	6-Bromo-3-fluoro-2-nitroaniline
PC400010	3-Bromo-2-fluoro-6-nitroaniline
PC501682	3-Bromo-6-fluoro-2-nitroaniline
PC5180-01	4-Bromo-2-fluoro-6-nitroaniline
PC51311-01	2-Bromo-6-fluoro-4-nitroaniline
PC3591-01	2-Bromo-4-fluoro-6-nitroaniline
PC1001725	6-Bromo-3-fluoro-N-methyl-2-nitroaniline
PC57812-01	4-Bromo-3-fluoro-2-methyl-6-nitroaniline
PC502213	4-Bromo-3-fluoro-2- (trifluoromethoxy) -6-nitroaniline
PC1001277-01	2-Bromo-3-fluoro-N-methyl-6-nitroaniline

Catalog	Name
TYB76480	2-Bromo-3-fluoro-6-nitroaniline
sc-321621	2-Bromo-6-fluoro-4-nitroaniline
sc-261754A	4-Bromo-2-fluoro-6-nitroaniline
sc-259607A	2-Bromo-4-fluoro-6-nitroaniline
sc-316006	4-Bromo-3-fluoro-2-methyl-6-nitroaniline
VSC49570-01	3-Bromo-4-fluoro-6-methyl-2-nitroaniline
AEC11742-01	3-bromo-5-fluoro-2-nitroaniline
430975-01	4-Bromo-3-fluoro-2-nitroaniline
TRC-B750690-250MG	5-Bromo-2-fluoro-3-nitroaniline
TRC-B595370-100MG	2-Bromo-3-fluoro-5-nitroaniline