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3-(Bromomethyl)benzoic acid N-succinimidylester

3-(Bromomethyl)benzoic acid N-succinimidylester - CAS 155863-35-7

Catalog:	BB011172
Product Name:	3-(Bromomethyl)benzoic acid N-succinimidylester
CAS:	155863-35-7
Synonyms:	(2,5-dioxopyrrolidin-1-yl) 3-(bromomethyl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	(2,5-dioxopyrrolidin-1-yl) 3-(bromomethyl)benzoate
Description:	3-(Bromomethyl)benzoic acid N-succinimidylester (CAS# 155863-35-7 ) is a useful research chemical.
Molecular Weight:	312.12
Molecular Formula:	C12H10BrNO4
Canonical SMILES:	C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)CBr
InChI:	InChI=1S/C12H10BrNO4/c13-7-8-2-1-3-9(6-8)12(17)18-14-10(15)4-5-11(14)16/h1-3,6H,4-5,7H2
InChI Key:	BHXBPWLMEXGVCV-UHFFFAOYSA-N
Boiling Point:	428.411 ℃ at 760 mmHg
Density:	1.671 g/cm³
MDL:	MFCD08277005
LogP:	1.74020

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	355
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	310.97932
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	310.97932
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4