(2-Bromo-5-chlorophenyl) methanamine

CAT: 0127-OR1059450-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059450-01Size:100 mg

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CAS Number

942400-60-4

MDL Number

MFCD12964237

Purity

98%

Smiles

NCC1=CC(Cl)=CC=C1Br

Chemical Information

(2-Bromo-5-chlorophenyl)methanamine

CAS Number	942400-60-4
PubChem CID	65811418
IUPAC Name	(2-bromo-5-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)CN)Br

InChI

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

InChIKey

UCLVFGCUXVRRJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 942400-60-4

CID: 65811418

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

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OR1034014-01	(3-Bromo-2-chlorophenyl) methanamine hydrochloride
OR94043-01	(2-Bromo-4-chlorophenyl) methanamine hydrochloride
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OR94329-01	(4-Bromo-2-chlorophenyl) methanamine hydrochloride
OR1066967-01	(4-Bromo-3-chlorophenyl) methanamine

Catalog	Name
SMB40060-01	(2-bromo-5-chlorophenyl) methanamine
AL BW 2448-01	(4-bromo-2-chlorophenyl) methanamine
MMB59886-01	{2-Bromo-4-[ (2-chlorophenyl) methoxy]-5-methoxyphenyl}methanamine
YGD27370	(2-Bromo-4-chlorophenyl) methanamine hydrochloride
IYB07665	(4-Bromo-3-chlorophenyl) methanamine
WQB01516-01	(2-Chlorophenyl) (2,5-dimethylphenyl) methanamine
IKC52285-01	[1- (4-Bromo-2-chlorophenyl) cyclopropyl]methanamine
LLA94780-01	(2-Chlorophenyl) (3-chlorophenyl) methanamine
sc-341535A	(2-bromo-5-fluorophenyl) methanamine
LAC77669-01	(2-Bromo-5-methylphenyl) methanamine