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(3-nitrophenyl) methanamine

CAT: 0024-sc-347215ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-347215ASize:5 g
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CAS Number
26177-43-5

Chemical Information

Benzenemethanamine, 3-nitro-, hydrochloride (1:1)
CAS Number26177-43-5
PubChem CID2724030
IUPAC Name(3-nitrophenyl)methanamine;hydrochloride
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity144
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl
InChI
InChI=1S/C7H8N2O2.ClH/c8-5-6-2-1-3-7(4-6)9(10)11;/h1-4H,5,8H2;1H
InChIKey
DLZXLCHQWOZGSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanamine, 3-nitro-, hydrochloride (1:1)
CAS: 26177-43-5
CID: 2724030
Formula: C7H9ClN2O2
MW: 188.61
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.61
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass188.0352552
Monoisotopic Mass188.0352552
Topological Polar Surface Area71.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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