Products for Research Use Only
RegisterLogin

4-Bromo-2-nitrobenzoic acid

CAT: 0931-TYD-00154-01Size: 10 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TYD-00154-01Size:10 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
99277-71-1
Bioactivity
4-Bromo-2-nitrobenzoic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
O=C(O)C1=CC=C(Br)C=C1[N+]([O-])=O
Molecular Formula
C7H4BrNO4
Molecular Weight
246.015
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Bromo-2-nitrobenzoic acid
CAS Number99277-71-1
PubChem CID3774467
IUPAC Name4-bromo-2-nitrobenzoic acid
Molecular FormulaC7H4BrNO4
Molecular Weight246.01
XLogP2.1
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity227
SMILES
C1=CC(=C(C=C1Br)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H4BrNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
InChIKey
ZIRHHEZLJGORGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-nitrobenzoic acid
CAS: 99277-71-1
CID: 3774467
Formula: C7H4BrNO4
MW: 246.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.01
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass244.93237
Monoisotopic Mass244.93237
Topological Polar Surface Area83.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TYD-00351-012-Bromo-3-nitrobenzoic acid
T20882-014-Nitrobenzoic acid
T64387-012-Nitrobenzoic acid
TYD-03251-014-Hydroxy-5-methoxy-2-nitrobenzoic acid
TYD-00518-013-Hydroxy-4-nitrobenzoic acid
T9337-014- (METHYLAMINO) -3-NITROBENZOIC ACID
TYD-00321-014-Methyl-3-nitrobenzoic acid
T125075-013-Methyl-4-nitrobenzoic acid
T9442-014-Chloro-3-nitrobenzoic acid
T201284-012-Amino-3-nitrobenzoic acid

Alternative Products

CatalogName
B2861-212-Bromo-4-nitrobenzoic Acid
GTR19246066-014-Bromo-2-nitrobenzoic acid
431036-014-Bromo-3-nitrobenzoic acid
FB67835-013-Bromo-4-nitrobenzoic acid
YSC02797-014-Bromo-2-fluoro-6-nitrobenzoic acid
431098-014-Bromo-5-fluoro-2-nitrobenzoic acid
OR1054541-014-Bromo-5-methoxy-2-nitrobenzoic acid
OR1050355-012-Amino-4-bromo-6-nitrobenzoic acid
TRC-B685725-5G2-Bromo-4-fluoro-5-nitrobenzoic Acid
435703-015-Bromo-4-fluoro-2-nitrobenzoic acid

Popular Products