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DHFR-IN-3

CAT: 0607-BA2173-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2173-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137553-43-6
Form
A solid
Molecular Formula
C8H7BrN4
Molecular Weight
239.07
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

7-Bromo-2,4-diaminoquinazoline
CAS Number137553-43-6
PubChem CID456247
IUPAC Name7-bromoquinazoline-2,4-diamine
Molecular FormulaC8H7BrN4
Molecular Weight239.07
XLogP1.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity189
SMILES
C1=CC2=C(C=C1Br)N=C(N=C2N)N
InChI
InChI=1S/C8H7BrN4/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H,(H4,10,11,12,13)
InChIKey
YPWBLOIRVSSESG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo-2,4-diaminoquinazoline
CAS: 137553-43-6
CID: 456247
Formula: C8H7BrN4
MW: 239.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.07
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass237.98541
Monoisotopic Mass237.98541
Topological Polar Surface Area77.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity189
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

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