(2-Bromo-4-chlorophenyl) methanamine

CAT: 0127-OR1055337-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1055337-01Size:250 mg

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CAS Number

874482-95-8

MDL Number

MFCD18390312

Purity

97%

Smiles

NCC1=CC=C(Cl)C=C1Br

Chemical Information

(2-Bromo-4-chlorophenyl)methanamine

CAS Number	874482-95-8
PubChem CID	57794106
IUPAC Name	(2-bromo-4-chlorophenyl)methanamine
Molecular Formula	C7H7BrClN
Molecular Weight	220.49
XLogP	2.1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

C1=CC(=C(C=C1Cl)Br)CN

InChI

InChI=1S/C7H7BrClN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H,4,10H2

InChIKey

FXMITEFGCJTQCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874482-95-8

CID: 57794106

Formula: C7H7BrClN

MW: 220.49

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.49
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	218.94504
Monoisotopic Mass	218.94504
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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
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OR1048326-01	(3-Bromo-4-chlorophenyl) methanamine hydrochloride
OR94522-01	(4-Bromo-3-chlorophenyl) methanamine hydrochloride
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OR1005984	(5-Bromo-2-chlorophenyl) methanamine hydrochloride
OR1034014-01	(3-Bromo-2-chlorophenyl) methanamine hydrochloride

Catalog	Name
WFB57432	(4-Bromo-2-chlorophenyl) methanamine
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IYB07665	(4-Bromo-3-chlorophenyl) methanamine
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SMB40060-01	(2-bromo-5-chlorophenyl) methanamine
IDC67658-01	(2-Chlorophenyl) (4-chlorophenyl) methanamine hydrochloride
MMB59886-01	{2-Bromo-4-[ (2-chlorophenyl) methoxy]-5-methoxyphenyl}methanamine
WQB12649-01	(2-Chlorophenyl) (4-ethylphenyl) methanamine
UQB35569-01	(4-Chlorophenyl) (2-methylphenyl) methanamine
RQB74807-01	(4-Chlorophenyl) (2-fluorophenyl) methanamine